[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO5S/c1-10-3-5-12(6-4-10)16(20)11(2)24-17(21)13-7-8-14(18)15(9-13)25(19,22)23/h3-9,11H,1-2H3,(H2,19,22,23)/t11-/m0/s1