2-methyl-5-(phenylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-(phenylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Openeye Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide CAS Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide IUPAC Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Traditional Name: 5-besyl-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22N2O6S3/c1-16-7-10-20(30(24,25)18-5-3-2-4-6-18)15-21(16)32(28,29)23-14-13-17-8-11-19(12-9-17)31(22,26)27/h2-12,15,23H,13-14H2,1H3,(H2,22,26,27)