2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 4-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]-2-(tosylamino)butyramide Formula: C20H27N3O5S3 MolecularWeight: 485.64048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H27N3O5S3/c1-15-3-7-18(8-4-15)31(27,28)23-19(12-14-29-2)20(24)22-13-11-16-5-9-17(10-6-16)30(21,25)26/h3-10,19,23H,11-14H2,1-2H3,(H,22,24)(H2,21,25,26)