[2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]ethyl] ester Formula: C19H19ClN3O5S+ MolecularWeight: 436.88926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClN3O5S/c20-14-5-1-4-13(10-14)19(25)28-12-18(24)22-15-6-2-7-16(11-15)29(26,27)23-17-8-3-9-21-17/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,23)(H,22,24)/p+1