3033226 -OEChem-05102119003D 35 36 0 1 0 0 0 0 0999 V2000 0.8579 -1.1451 -0.3544 S 0 0 1 0 0 0 0 0 0 0 0 0 0.9404 -2.4585 0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -0.1148 -1.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -1.9462 0.2313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 -1.4805 0.6212 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -0.2111 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 -0.7748 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 1.2917 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -0.0837 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -0.8119 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 2.1095 1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -1.2642 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 1.7738 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 -1.3389 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 3.4814 1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 -1.7910 -1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 3.1456 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -1.8282 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 3.9993 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 -0.5523 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 -0.3951 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.0771 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 0.9374 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 -0.4320 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 1.7179 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 -1.2392 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.1304 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -1.3672 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 4.1461 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -2.1687 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 3.5490 -2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 -2.2373 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 5.0673 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -1.9464 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 -1.3602 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 20 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > DB08925 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CGNMLOKEMNBUAI-UHFFFAOYSA-N/SDF?record_type=3d > ONC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17) > CGNMLOKEMNBUAI-UHFFFAOYSA-N > C15H15NO3S > 289.35 > 289.077264521 > 3 > 35 > -7.863900320181058e-09 > 29.628015571780157 > 1 > 2 > 0 > 1 > 2-diphenylmethanesulfinyl-N-hydroxyacetamide > 2.19 > 1.5296527130000004 > -2.58 > 0 > 0 > 2 > 0 > 11.838412030401118 > 8.104460754097206 > -5.497205485516167 > 66.4 > 79.15320000000003 > 5 > 1 > 7.58e-01 g/l > adrafinil > 0 $$$$