[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c1-13(2)19(23-29(26,27)18-10-8-14(3)9-11-18)21(25)28-15(4)20(24)16-6-5-7-17(22)12-16/h5-13,15,19,23H,1-4H3/t15?,19-/m0/s1