4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-benzyl-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H26N2O3S/c1-16-11-12-19(14-17(16)2)22(26(3,24)25)13-7-10-20(23)21-15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,21,23)