2-methylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate

Systemtic Name: 2-methylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate Openeye Name: isobutyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-1-pyrazol-1-iumcarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylic acid isobutyl ester Formula: C20H21ClN3O4S+ MolecularWeight: 434.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)[N+]1(C(=CC=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)COC(=O)[N+]1(C(=CC=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21ClN3O4S/c1-14(2)13-28-20(25)24(17-7-9-18(10-8-17)29(22,26)27)19(11-12-23-24)15-3-5-16(21)6-4-15/h3-12,14H,13H2,1-2H3,(H2,22,26,27)/q+1