5505 -OEChem-10051719303D 36 36 0 0 0 0 0 0 0999 V2000 1.0779 2.1150 0.2777 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 2.7600 -1.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 2.7605 1.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 1.2564 -1.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 0.9669 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 1.6602 0.6908 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -0.9538 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 0.5573 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 -1.7163 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 0.5329 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -3.2150 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 1.2875 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -0.0874 -1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 -0.0569 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 -1.9453 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -1.3362 -1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 -1.3057 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -3.2803 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -1.2890 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8657 -1.1931 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7807 0.9074 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 1.0546 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -1.3706 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 -1.5231 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 1.0187 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2976 -3.5985 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -3.7412 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0664 -3.4539 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 1.6973 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 0.3685 -2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.4205 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 -1.8241 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 -1.7703 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -3.8552 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -3.8746 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 -3.1582 -0.5859 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 6 1 0 0 0 0 1 10 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > DB01124 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JLRGJRBPOGGCBT-UHFFFAOYSA-N/SDF?record_type=3d > CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 > InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) > JLRGJRBPOGGCBT-UHFFFAOYSA-N > C12H18N2O3S > 270.348 > 270.103813142 > 3 > 36 > -0.9978471726513988 > 29.099535424109085 > 1 > 2 > 0 > 1 > 3-butyl-1-(4-methylbenzenesulfonyl)urea > 2.04 > 2.295335827333333 > -3.13 > 0 > -1 > 1 > -1 > 18.114800808981375 > 4.333945172256472 > 75.27 > 70.27 > 4 > 1 > 2.02e-01 g/l > tetrahydrofolic acid > 0 $$$$