methyl 3-[(4-methylsulfonylphenyl)amino]butanoate

Systemtic Name: methyl 3-[(4-methylsulfonylphenyl)amino]butanoate Openeye Name: methyl 3-(4-methylsulfonylanilino)butanoate CAS Name: 3-(4-methylsulfonylanilino)butanoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfonylanilino)butanoate Traditional Name: 3-(4-mesylanilino)butyric acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CC(CC(=O)OC)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-9(8-12(14)17-2)13-10-4-6-11(7-5-10)18(3,15)16/h4-7,9,13H,8H2,1-3H3