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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-5-18(23(29(4,25)26)17-9-7-6-8-10-17)21(24)22-14-13-16-11-12-19(27-2)20(15-16)28-3/h6-12,15,18H,5,13-14H2,1-4H3,(H,22,24)