[5-methyl-2-phenyl-4-(phenylsulfonyl)-1H-pyrazol-2-ium-3-yl] benzoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)-1H-pyrazol-2-ium-3-yl] benzoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl] benzoate CAS Name: benzoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl] benzoate Traditional Name: benzoic acid (4-besyl-5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl) ester Formula: C23H19N2O4S+ MolecularWeight: 419.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](N1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=[N+](N1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S/c1-17-21(30(27,28)20-15-9-4-10-16-20)22(25(24-17)19-13-7-3-8-14-19)29-23(26)18-11-5-2-6-12-18/h2-16H,1H3/p+1