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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Formula: C27H26N5O4S+ MolecularWeight: 516.59144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4S/c1-36-22-14-12-19(13-15-22)26-24(18-32(30-26)21-8-3-2-4-9-21)27(33)29-20-7-5-10-23(17-20)37(34,35)31-25-11-6-16-28-25/h2-5,7-10,12-15,17-18H,6,11,16H2,1H3,(H,28,31)(H,29,33)/p+1