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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-4-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=C(C=C3)N4C=CC=C4

Isomeric SMILES

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

InChI

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