5090 -OEChem-10051719173D 36 38 0 0 0 0 0 0 0999 V2000 4.6836 -0.2785 0.0024 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 2.9316 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 1.3377 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2761 0.1136 -1.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.1465 1.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 1.4752 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 1.0480 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 0.7146 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 2.9153 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 0.2312 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 -0.7419 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 0.8147 -1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 0.8689 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 1.6516 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 0.4076 -1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.4618 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 -1.4420 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -1.4308 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -2.0549 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.8308 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -2.8198 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 -3.5197 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0229 3.4640 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0965 3.3982 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 0.9457 -2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 1.0426 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 0.2267 -2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.3241 2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2734 -0.9190 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3726 -0.8993 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -2.4064 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -2.4406 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -2.3666 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -3.3759 2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 -3.3564 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 -4.6011 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > DB00533 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZJQGNCSTQAWON-UHFFFAOYSA-N/SDF?record_type=3d > CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1 > InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 > RZJQGNCSTQAWON-UHFFFAOYSA-N > C17H14O4S > 314.356 > 314.061279626 > 3 > 36 > -7.649503276859619e-07 > 31.729585844521722 > 1 > 0 > 0 > 1 > 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one > 2.32 > 2.560910504 > -4.47 > 0 > 0 > 3 > 0 > 16.203736653376044 > 13.116721730475403 > -6.993318649694414 > 60.440000000000005 > 84.08010000000003 > 3 > 1 > 1.06e-02 g/l > biotin > 0 $$$$