5734 -OEChem-10051719253D 22 23 0 0 0 0 0 0 0999 V2000 -2.6990 0.3331 -0.3064 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 -2.0306 -0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 1.4984 -0.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0173 -0.8583 -1.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 -1.9169 0.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 0.8133 0.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 -0.1438 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -0.6198 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 0.1358 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -0.8047 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 1.4766 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0671 -0.5145 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.8052 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 0.8263 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 0.7281 1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -0.9266 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 2.2466 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -1.2793 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 2.8386 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 1.1127 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 0.0802 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 1.6851 1.1138 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 7 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 5 8 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M END > DB00909 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UBQNRHZMVUUOMG-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)CC1=NOC2=CC=CC=C12 > InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) > UBQNRHZMVUUOMG-UHFFFAOYSA-N > C8H8N2O3S > 212.226 > 212.025562822 > 3 > 22 > -0.001456888333660651 > 19.479884395003968 > 1 > 1 > 0 > 1 > (1,2-benzoxazol-3-yl)methanesulfonamide > 0.67 > 0.1106864246666666 > -2.01 > 0 > 0 > 2 > 0 > 9.835940037487987 > -1.7478714464152556 > 86.19 > 50.2984 > 2 > 1 > 2.09e+00 g/l > tetrahydrofolic acid > 0 $$$$