methyl 4-chloranyl-3-[2-[methylsulfonyl(phenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[methylsulfonyl(phenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-mesylanilino)acetyl]amino]benzoic acid methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H17ClN2O5S/c1-25-17(22)12-8-9-14(18)15(10-12)19-16(21)11-20(26(2,23)24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)