[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)N3C=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-14-8-9-16(12-19(14)24-10-3-4-11-24)21(26)29-15(2)20(25)23-17-6-5-7-18(13-17)30(22,27)28/h3-13,15H,1-2H3,(H,23,25)(H2,22,27,28)