119607 -OEChem-10051719183D 36 38 0 0 0 0 0 0 0999 V2000 4.5224 0.6036 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 -2.8270 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1452 0.2207 1.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 0.2245 -1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -1.5593 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 2.2937 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 -1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 -0.9086 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -0.7155 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -2.7112 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 0.0226 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -0.6758 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 -0.6760 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 0.7069 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 -0.2101 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -0.2105 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -3.9723 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 1.3919 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6706 1.3920 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 2.7699 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 2.7698 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 3.4588 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -0.8503 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4049 -0.8506 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 -0.0293 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -0.0302 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -4.0386 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 -4.0388 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -4.8405 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 0.8696 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 0.8695 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 3.3065 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 3.3064 2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 4.5316 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 2.8084 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 2.8089 -0.8603 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 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 5 9 2 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > DB00580 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LNPDTQAFDNKSHK-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O > InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) > LNPDTQAFDNKSHK-UHFFFAOYSA-N > C16H14N2O3S > 314.359 > 314.072513014 > 3 > 36 > -0.0008748844150503294 > 31.76425043343253 > 1 > 1 > 0 > 1 > 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide > 3.32 > 2.8236843580000004 > -3.96 > 0 > 0 > 3 > 0 > 10.057539239950989 > 0.4178232092924187 > 86.19 > 84.70800000000001 > 3 > 1 > 3.48e-02 g/l > tetrahydrofolic acid > 0 $$$$