[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C22H19ClN2O5S/c1-14-7-10-17(11-8-14)25-21(26)20(15-5-3-2-4-6-15)30-22(27)16-9-12-18(23)19(13-16)31(24,28)29/h2-13,20H,1H3,(H,25,26)(H2,24,28,29)/t20-/m0/s1