N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]nicotinamide Formula: C22H21N4O3S2+ MolecularWeight: 453.55714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c27-21(19-11-5-14-24-22(19)30-17-8-2-1-3-9-17)25-16-7-4-10-18(15-16)31(28,29)26-20-12-6-13-23-20/h1-5,7-11,14-15H,6,12-13H2,(H,23,26)(H,25,27)/p+1