[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-11-4-6-13(7-5-11)21-17(22)12(2)26-18(23)15-10-14(8-9-16(15)19)27(24,25)20-3/h4-10,12,20H,1-3H3,(H,21,22)/t12-/m0/s1