[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C20H21N3O5S/c1-14-5-2-6-15(11-14)20(25)28-13-19(24)22-16-7-3-8-17(12-16)29(26,27)23-18-9-4-10-21-18/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,21,23)(H,22,24)