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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(1-phenylpyrazol-4-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S/c28-22(12-11-17-15-24-27(16-17)19-7-2-1-3-8-19)25-18-6-4-9-20(14-18)31(29,30)26-21-10-5-13-23-21/h1-4,6-9,14-16H,5,10-13H2,(H,23,26)(H,25,28)/p+1