N-methylsulfonyl-2-[4-(2-oxidanyl-3-oxidanylidene-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-methylsulfonyl-2-[4-(2-oxidanyl-3-oxidanylidene-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanyl-benzamide Openeye Name: 2-[4-(2-hydroxy-3-oxo-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanyl-N-methylsulfonyl-benzamide CAS Name: 2-[[4-(2-hydroxy-3-oxo-4-sulfamoylbutyl)-2-(8-phenyloctyl)phenyl]thio]-N-methylsulfonylbenzamide IUPAC Name: 2-[4-(2-hydroxy-3-oxo-4-sulfamoylbutyl)-2-(8-phenyloctyl)phenyl]sulfanyl-N-methylsulfonylbenzamide Traditional Name: 2-[[4-(2-hydroxy-3-keto-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]thio]-N-mesyl-benzamide Formula: C32H40N2O7S3 MolecularWeight: 660.8642

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)CC(C(=O)CS(=O)(=O)N)O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)CC(C(=O)CS(=O)(=O)N)O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C32H40N2O7S3/c1-43(38,39)34-32(37)27-17-11-12-18-31(27)42-30-20-19-25(22-28(35)29(36)23-44(33,40)41)21-26(30)16-10-5-3-2-4-7-13-24-14-8-6-9-15-24/h6,8-9,11-12,14-15,17-21,28,35H,2-5,7,10,13,16,22-23H2,1H3,(H,34,37)(H2,33,40,41)