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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O3S/c26-20(11-10-19-23-16-7-1-2-8-17(16)24-19)22-14-5-3-6-15(13-14)29(27,28)25-18-9-4-12-21-18/h1-3,5-8,13H,4,9-12H2,(H,21,25)(H,22,26)(H,23,24)/p+1