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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: 1,5-diphenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-1,2,4-triazole-3-carboxamide Formula: C25H23N6O3S+ MolecularWeight: 487.55352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O3S/c32-25(27-19-11-7-14-21(17-19)35(33,34)30-22-15-8-16-26-22)23-28-24(18-9-3-1-4-10-18)31(29-23)20-12-5-2-6-13-20/h1-7,9-14,17H,8,15-16H2,(H,26,30)(H,27,32)/p+1