4368 -OEChem-10051719483D 51 53 0 1 0 0 0 0 0999 V2000 0.2815 -0.2207 -2.0776 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0615 -1.3984 -2.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 0.9581 -2.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 1.4085 0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 0.8604 1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 1.4963 2.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -0.6587 -0.6416 N 0 0 1 0 0 0 0 0 0 0 0 0 3.9815 1.9362 1.7451 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 0.1731 2.2283 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 -1.7200 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 -0.5823 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -3.0467 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 0.2688 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 -1.4283 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 0.7102 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -4.0819 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 -2.4636 2.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 -3.3894 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.6826 -1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 1.5910 -1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -3.7902 1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 -0.0534 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 1.8139 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 0.8065 1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -0.2972 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7453 1.9765 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.0323 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 2.9945 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 3.0036 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 2.7837 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.6893 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -1.4059 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -5.1197 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 -2.2767 2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 -4.2468 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7466 -3.6871 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 -2.6222 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -1.7227 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 2.3370 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -4.5965 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 1.7771 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -0.0326 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -1.0375 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 3.0241 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 3.8771 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4912 -0.4928 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 3.8990 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1623 2.9048 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 3.0778 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0371 3.4321 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 1.4857 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 4 27 1 0 0 0 0 4 30 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 51 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 24 1 0 0 0 0 8 29 2 0 0 0 0 9 22 1 0 0 0 0 9 46 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 21 2 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 25 1 0 0 0 0 19 38 1 0 0 0 0 20 26 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 23 28 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB02071 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AINJYWXKBKRQSX-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO > InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) > AINJYWXKBKRQSX-UHFFFAOYSA-N > C21H21N3O5S > 427.474 > 427.120191487 > 6 > 51 > -0.00614042507831588 > 42.34395336569487 > 1 > 2 > 0 > 1 > N-hydroxy-3-methyl-2-{N-[(pyridin-3-yl)methyl]4-methoxybenzenesulfonamido}benzamide > 2.43 > 2.3945965466666674 > -4.54 > 1 > 0 > 3 > 0 > 19.28960635236837 > 8.898008521236067 > 4.805522066344213 > 108.83000000000001 > 112.59 > 6 > 1 > 1.24e-02 g/l > biotin > 0 $$$$