24178109 -OEChem-10051721133D 42 43 0 1 0 0 0 0 0999 V2000 -1.6578 -1.8304 -0.5554 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 -2.0350 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8115 -2.9453 0.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 -0.6265 1.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 1.0751 -1.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 3.5091 0.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 -0.4999 -0.0057 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.6577 2.7460 -0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -0.3048 1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.2256 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 0.7910 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 -1.4260 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 -0.5485 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 -1.0994 1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -0.2726 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -0.9496 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -0.0721 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 1.5255 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 0.2216 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 1.5069 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0357 -0.5871 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 1.9834 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 -0.1105 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 1.1748 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 0.7520 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -0.6202 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 0.6225 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 1.3775 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 -1.9503 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0933 -0.3780 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 -2.1676 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 -0.9673 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -1.1143 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 0.4545 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 2.1503 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8805 -1.5915 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8567 -1.1469 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 3.1978 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 2.9840 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 -0.7400 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5755 1.5458 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 3.2622 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 14 1 0 0 0 0 4 37 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > DB08029 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQDWEVONJRXVDB-UHFFFAOYSA-N/SDF?record_type=3d > OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1 > InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20) > QQDWEVONJRXVDB-UHFFFAOYSA-N > C16H18N2O5S > 350.39 > 350.093642386 > 5 > 42 > -0.017758295056390688 > 34.95855487982674 > 1 > 3 > 0 > 1 > N-hydroxy-2-[N-(2-hydroxyethyl)[1,1'-biphenyl]-4-sulfonamido]acetamide > 0.84 > 0.6516110343333331 > -3.68 > 0 > 0 > 2 > 0 > 15.521713650629021 > 8.742817104708383 > -2.561978427986788 > 106.94 > 89.10920000000003 > 6 > 1 > 7.27e-02 g/l > tetrahydrofolic acid > 0 $$$$