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

Systemtic Name: 2-[3-methoxy-5-[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3-[3-(1-isopentylpyrazol-4-yl)phenyl]sulfonyl-5-methoxy-phenyl]acetic acid CAS Name: 2-[3-methoxy-5-[3-[1-(3-methylbutyl)-4-pyrazolyl]phenyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[3-methoxy-5-[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-[3-(1-isoamylpyrazol-4-yl)phenyl]sulfonyl-5-methoxy-phenyl]acetic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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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)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-16(2)7-8-25-15-19(14-24-25)18-5-4-6-21(12-18)31(28,29)22-10-17(11-23(26)27)9-20(13-22)30-3/h4-6,9-10,12-16H,7-8,11H2,1-3H3,(H,26,27)