2-[2-methyl-4-[2-[propyl-(4-pyrazol-1-ylphenyl)sulfonyl-amino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-[propyl-(4-pyrazol-1-ylphenyl)sulfonyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[propyl-(4-pyrazol-1-ylphenyl)sulfonyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[propyl-[4-(1-pyrazolyl)phenyl]sulfonylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[propyl-(4-pyrazol-1-ylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[propyl-(4-pyrazol-1-ylphenyl)sulfonyl-amino]ethylthio]phenoxy]acetic acid Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C23H27N3O5S2/c1-3-12-25(14-15-32-20-7-10-22(18(2)16-20)31-17-23(27)28)33(29,30)21-8-5-19(6-9-21)26-13-4-11-24-26/h4-11,13,16H,3,12,14-15,17H2,1-2H3,(H,27,28)