[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(methylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(methylsulfamoyl)benzoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-12-8-9-13(2)17(10-12)18(21)14(3)25-19(22)15-6-5-7-16(11-15)26(23,24)20-4/h5-11,14,20H,1-4H3/t14-/m0/s1