[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-12(17(22)20-13-5-4-6-14(11-13)28(19,24)25)26-18(23)16-15(7-10-27-16)21-8-2-3-9-21/h2-12H,1H3,(H,20,22)(H2,19,24,25)