N-methylsulfonyl-2-[2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoyl-butyl]sulfanyl-benzamide

Systemtic Name: N-methylsulfonyl-2-[2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoyl-butyl]sulfanyl-benzamide Openeye Name: 2-[2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoyl-butyl]sulfanyl-N-methylsulfonyl-benzamide CAS Name: 2-[[2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoylbutyl]thio]-N-methylsulfonylbenzamide IUPAC Name: 2-[2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoylbutyl]sulfanyl-N-methylsulfonylbenzamide Traditional Name: 2-[[2-hydroxy-3-keto-1-[2-(8-phenyloctyl)phenyl]-4-sulfamoyl-butyl]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=C1SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)CS(=O)(=O)N)O

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=CC=C1SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)CS(=O)(=O)N)O

InChI

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