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

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-methylphenyl)-phenyl-methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[phenyl(p-tolyl)methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[phenyl(p-tolyl)methyl]butyramide Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3S/c1-20-13-16-24(17-14-20)27(23-9-6-5-7-10-23)28-26(30)11-8-18-29(33(4,31)32)25-19-21(2)12-15-22(25)3/h5-7,9-10,12-17,19,27H,8,11,18H2,1-4H3,(H,28,30)