[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(dimethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H24N2O6S/c1-11-17(13(3)23)12(2)21-18(11)19(24)14(4)28-20(25)15-8-7-9-16(10-15)29(26,27)22(5)6/h7-10,14,21H,1-6H3/t14-/m0/s1