4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide Openeye Name: 4-methyl-2-(p-tolylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide Traditional Name: 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(tosylamino)valeramide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S2/c1-15(2)14-20(24-31(28,29)19-8-4-16(3)5-9-19)21(25)23-13-12-17-6-10-18(11-7-17)30(22,26)27/h4-11,15,20,24H,12-14H2,1-3H3,(H,23,25)(H2,22,26,27)