5253 -OEChem-10051719163D 38 38 0 1 0 0 0 0 0999 V2000 4.4594 0.7468 -0.3136 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 -2.0677 0.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 0.5878 -0.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 0.7923 -1.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -0.0697 -0.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -0.4196 0.6476 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9515 -1.1872 -0.2498 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7145 0.1428 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 1.1992 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -0.9830 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -1.4168 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 -0.3679 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 1.8754 0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3363 0.9484 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -0.6114 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 -1.2297 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 -0.1806 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 2.2410 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 -1.6802 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 0.8274 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 0.5835 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4789 1.8670 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 -0.5216 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -1.9019 -1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7541 -0.0407 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 2.7009 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8578 1.1818 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 2.3187 1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4687 0.4790 -1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8962 1.8899 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7897 0.2933 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -1.5826 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 0.2999 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 -2.1582 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.4361 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4973 3.0748 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 2.3780 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2743 2.1739 1.5710 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 18 1 0 0 0 0 2 7 1 0 0 0 0 2 34 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 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 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB00489 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZBMZVLHSJCTVON-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 > InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 > ZBMZVLHSJCTVON-UHFFFAOYSA-N > C12H20N2O3S > 272.364 > 272.119463206 > 4 > 38 > 0.9949497172109021 > 29.340749451033123 > 1 > 3 > 0 > 1 > N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide > 0.85 > -0.3950640027108308 > -2.54 > 0 > 1 > 1 > 1 > 14.100645593387325 > 10.069402607110717 > 9.42821539663018 > 78.42999999999999 > 71.1191 > 5 > 1 > 7.82e-01 g/l > biotin > 0 $$$$