4-(3-fluoranyl-4-methoxy-phenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylate IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-2-phenethyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Formula: C25H21FN3O5S- MolecularWeight: 494.514743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C(=O)[O-])F

InChI

InChI=1S/C25H22FN3O5S/c1-34-21-12-9-18(15-20(21)26)22-23(17-7-10-19(11-8-17)35(27,32)33)28-29(24(22)25(30)31)14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,30,31)(H2,27,32,33)/p-1