4-[3-ethoxycarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-ethoxycarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-ethoxycarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[3-ethoxycarbonyl-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-ethoxycarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-carbethoxy-5-(4-mesylphenyl)pyrazol-1-yl]benzoic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O6S/c1-3-28-20(25)17-12-18(13-6-10-16(11-7-13)29(2,26)27)22(21-17)15-8-4-14(5-9-15)19(23)24/h4-12H,3H2,1-2H3,(H,23,24)