2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-methyl-1-phenyl-butyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-16(2)13-21(19-9-7-6-8-10-19)23-22(25)15-24(28(5,26)27)20-12-11-17(3)18(4)14-20/h6-12,14,16,21H,13,15H2,1-5H3,(H,23,25)