4849 -OEChem-10051720053D 43 45 0 0 0 0 0 0 0999 V2000 -0.4451 -2.8833 -0.8600 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -0.3220 -1.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 -3.7105 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.7635 -1.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4886 1.6283 0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -0.5822 0.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 2.2597 -0.4209 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -3.3761 0.6564 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 3.4591 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 2.3773 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3425 4.2365 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 3.8555 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 1.1531 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 -0.1656 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 1.2688 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -1.2760 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 0.1586 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 -1.1139 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1835 0.3275 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 -0.5394 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -0.5886 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.7021 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.8071 2.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 -0.9207 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -0.9732 1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 3.2238 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 4.0433 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 2.0866 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 1.8183 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 3.8942 0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 5.3141 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 4.4312 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 4.0337 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 2.2653 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9855 -1.9771 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -4.0907 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -3.4653 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.4639 1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 -0.6613 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -0.8472 3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -1.0500 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 1.7314 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 -1.1433 2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 5 19 1 0 0 0 0 5 42 1 0 0 0 0 6 19 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 M END > DB02925 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UJEWTUDSLQGTOA-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O > InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) > UJEWTUDSLQGTOA-UHFFFAOYSA-N > C17H18N2O5S > 362.4 > 362.093642386 > 5 > 43 > -0.9977174538190265 > 35.84197158733383 > 1 > 2 > 0 > 1 > 4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid > 2.20 > 2.2509880019999997 > -3.60 > 0 > -1 > 3 > -1 > 9.613149397040683 > 4.675413644408642 > -0.6194029378973831 > 109.93 > 93.68250000000002 > 5 > 1 > 9.14e-02 g/l > tetrahydrofolic acid > 0 $$$$