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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(m-tolyl)-1-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:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S/c1-19-8-5-9-20(16-19)26-24(18-32(30-26)22-11-3-2-4-12-22)27(33)29-21-10-6-13-23(17-21)36(34,35)31-25-14-7-15-28-25/h2-6,8-13,16-18H,7,14-15H2,1H3,(H,28,31)(H,29,33)/p+1