(2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-3-methyl-2-(tosylamino)-N-veratryl-butyramide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-14(2)20(23-29(25,26)17-9-6-15(3)7-10-17)21(24)22-13-16-8-11-18(27-4)19(12-16)28-5/h6-12,14,20,23H,13H2,1-5H3,(H,22,24)/t20-/m0/s1