(2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(2-phenylacetyl)amino]butyramide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2)S(=O)(=O)NC

InChI

InChI=1S/C21H27N3O4S/c1-14(2)20(24-19(25)12-16-8-6-5-7-9-16)21(26)23-17-11-10-15(3)18(13-17)29(27,28)22-4/h5-11,13-14,20,22H,12H2,1-4H3,(H,23,26)(H,24,25)/t20-/m0/s1