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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-3-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Formula: C27H26N5O3S+ MolecularWeight: 500.59204

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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=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S/c33-27(29-22-13-7-14-23(17-22)36(34,35)31-25-15-8-16-28-25)24-19-32(18-20-9-3-1-4-10-20)30-26(24)21-11-5-2-6-12-21/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,31)(H,29,33)/p+1