N-(3-methyl-1-phenyl-butyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(3-methyl-1-phenyl-butyl)propanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(3-methyl-1-phenyl-butyl)propionamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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