(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-homoveratryl-3-methyl-butyramide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O5S/c1-15(2)20(23-29(25,26)17-8-6-5-7-9-17)21(24)22-13-12-16-10-11-18(27-3)19(14-16)28-4/h5-11,14-15,20,23H,12-13H2,1-4H3,(H,22,24)/t20-/m0/s1