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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-3-pyrrol-1-yl-benzamide Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H20N4O3S/c26-21(16-6-3-8-18(14-16)25-12-1-2-13-25)23-17-7-4-9-19(15-17)29(27,28)24-20-10-5-11-22-20/h1-4,6-9,12-15H,5,10-11H2,(H,22,24)(H,23,26)/p+1