methyl 4-methyl-3-[4-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[4-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[4-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4-methyl-3-[[4-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(N-mesylanilino)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-11-12-16(20(24)27-2)14-18(15)21-19(23)10-7-13-22(28(3,25)26)17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,21,23)