N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(phenyl)amino]butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(N-methylsulfonylanilino)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(N-methylsulfonylanilino)butanamide Traditional Name: N-homoveratryl-4-(N-mesylanilino)butyramide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H28N2O5S/c1-27-19-12-11-17(16-20(19)28-2)13-14-22-21(24)10-7-15-23(29(3,25)26)18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H,22,24)