4-(4-methylphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: 4-(4-methylphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: 2-phenethyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylate IUPAC Name: 4-(4-methylphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-phenethyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Formula: C25H22N3O4S- MolecularWeight: 460.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c1-17-7-9-19(10-8-17)22-23(20-11-13-21(14-12-20)33(26,31)32)27-28(24(22)25(29)30)16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,29,30)(H2,26,31,32)/p-1