4-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide CAS Name: 4-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-cyano-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H17N4O3S+ MolecularWeight: 369.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4O3S/c19-12-13-6-8-14(9-7-13)18(23)21-15-3-1-4-16(11-15)26(24,25)22-17-5-2-10-20-17/h1,3-4,6-9,11H,2,5,10H2,(H,20,22)(H,21,23)/p+1