2-[3-[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[3-[3-(1-isopentylpyrazol-4-yl)phenyl]sulfonylphenyl]acetic acid CAS Name: 2-[3-[3-[1-(3-methylbutyl)-4-pyrazolyl]phenyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[3-[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-[3-(1-isoamylpyrazol-4-yl)phenyl]sulfonylphenyl]acetic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CC(C)CCN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-16(2)9-10-24-15-19(14-23-24)18-6-4-8-21(13-18)29(27,28)20-7-3-5-17(11-20)12-22(25)26/h3-8,11,13-16H,9-10,12H2,1-2H3,(H,25,26)