4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[4-(m-tolylsulfamoyl)phenyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[4-(m-tolylsulfamoyl)phenyl]butyramide Formula: C26H31N3O5S2 MolecularWeight: 529.67144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN(C3=C(C=CC(=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN(C3=C(C=CC(=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C26H31N3O5S2/c1-19-7-5-8-23(17-19)28-36(33,34)24-14-12-22(13-15-24)27-26(30)9-6-16-29(35(4,31)32)25-18-20(2)10-11-21(25)3/h5,7-8,10-15,17-18,28H,6,9,16H2,1-4H3,(H,27,30)