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

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C24H21N4O3S2+ MolecularWeight: 477.57854

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=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C24H20N4O3S2/c25-16-17-7-1-3-11-21(17)32-22-12-4-2-10-20(22)24(29)27-18-8-5-9-19(15-18)33(30,31)28-23-13-6-14-26-23/h1-5,7-12,15H,6,13-14H2,(H,26,28)(H,27,29)/p+1