2-[2-methyl-4-[2-[(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-[(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[(5-methyl-1-phenyl-4-pyrazolyl)sulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-propyl-amino]ethylthio]phenoxy]acetic acid Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3O5S2/c1-4-12-26(13-14-33-21-10-11-22(18(2)15-21)32-17-24(28)29)34(30,31)23-16-25-27(19(23)3)20-8-6-5-7-9-20/h5-11,15-16H,4,12-14,17H2,1-3H3,(H,28,29)