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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Formula: C20H20N5O3S+ MolecularWeight: 410.4695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c26-20(15-13-22-25(14-15)17-7-2-1-3-8-17)23-16-6-4-9-18(12-16)29(27,28)24-19-10-5-11-21-19/h1-4,6-9,12-14H,5,10-11H2,(H,21,24)(H,23,26)/p+1