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

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C24H23N6O3S+ MolecularWeight: 475.54282

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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)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H22N6O3S/c31-24(26-19-5-3-6-20(15-19)34(32,33)28-23-9-4-14-25-23)18-12-10-17(11-13-18)16-30-22-8-2-1-7-21(22)27-29-30/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,25,28)(H,26,31)/p+1