2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-phenethyl-butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-phenethyl-butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-phenethyl-butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-phenethylbutanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-phenethylbutanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-phenethyl-butyramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-5-20(21(24)22-14-13-18-9-7-6-8-10-18)23(27(4,25)26)19-12-11-16(2)17(3)15-19/h6-12,15,20H,5,13-14H2,1-4H3,(H,22,24)