4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-methylphenyl)-phenyl-methyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-methylphenyl)-phenyl-methyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[phenyl(p-tolyl)methyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-[phenyl(p-tolyl)methyl]butyramide Formula: C27H32N2O3S MolecularWeight: 464.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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