[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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=C(C=CC(=C2)S(=O)(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-11-5-6-12(2)15(9-11)18(21)13(3)26-19(22)16-10-14(27(20,23)24)7-8-17(16)25-4/h5-10,13H,1-4H3,(H2,20,23,24)/t13-/m0/s1