methyl 2-chloranyl-5-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 2-chloro-5-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-5-[2-(N-mesylanilino)butanoylamino]benzoic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)OC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)OC)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O5S/c1-4-17(22(28(3,25)26)14-8-6-5-7-9-14)18(23)21-13-10-11-16(20)15(12-13)19(24)27-2/h5-12,17H,4H2,1-3H3,(H,21,23)