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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: 4-pyrazol-1-yl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide 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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

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