4121 -OEChem-10051719103D 31 32 0 1 0 0 0 0 0999 V2000 4.7823 2.3563 -0.5199 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 2.7701 0.1946 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -1.8015 -0.3693 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 -0.3135 -0.0492 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 -2.9282 0.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -1.9361 -1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 0.8435 -0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 -1.5790 -0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -1.0677 0.4016 N 0 0 1 0 0 0 0 0 0 0 0 0 1.9816 1.2197 -0.0773 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 -0.6043 1.5771 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.2734 -0.2103 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2114 -0.4968 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 0.8352 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 0.8757 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 -0.8430 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 -1.0709 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 1.8200 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.1585 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 1.4887 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 0.0968 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 2.2108 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 0.1785 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 1.1572 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.8874 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 -0.2825 2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 -0.9380 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -2.0383 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 2.8639 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4421 -1.5787 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 0.0734 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 M END > DB00232 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CESYKOGBSMNBPD-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O > InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16) > CESYKOGBSMNBPD-UHFFFAOYSA-N > C9H11Cl2N3O4S2 > 360.237 > 358.956802649 > 5 > 31 > -0.00543610169501568 > 31.65376113133475 > 1 > 2 > 0 > 1 > 6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide > 0.93 > 0.5283252613333335 > -2.64 > 0 > 0 > 2 > 0 > 10.539645568265414 > 9.29168730608368 > -3.3959296726388923 > 109.57 > 77.27770000000002 > 2 > 1 > 8.24e-01 g/l > biotin > 0 $$$$