2-[3-methoxy-5-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-methoxy-5-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3-[3-(1-isobutylpyrazol-4-yl)phenyl]sulfonyl-5-methoxy-phenyl]acetic acid CAS Name: 2-[3-methoxy-5-[3-[1-(2-methylpropyl)-4-pyrazolyl]phenyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[3-methoxy-5-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-[3-(1-isobutylpyrazol-4-yl)phenyl]sulfonyl-5-methoxy-phenyl]acetic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)OC)CC(=O)O

Isomeric SMILES

CC(C)CN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)OC)CC(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-15(2)13-24-14-18(12-23-24)17-5-4-6-20(10-17)30(27,28)21-8-16(9-22(25)26)7-19(11-21)29-3/h4-8,10-12,14-15H,9,13H2,1-3H3,(H,25,26)