2-[2-methyl-4-[2-[(4-pentylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-[(4-pentylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[(4-pentylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[(4-pentylphenyl)sulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[(4-pentylphenyl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amylphenyl)sulfonyl-propyl-amino]ethylthio]-2-methyl-phenoxy]acetic acid Formula: C25H35NO5S2 MolecularWeight: 493.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCC)CCSC2=CC(=C(C=C2)OCC(=O)O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCC)CCSC2=CC(=C(C=C2)OCC(=O)O)C

InChI

InChI=1S/C25H35NO5S2/c1-4-6-7-8-21-9-12-23(13-10-21)33(29,30)26(15-5-2)16-17-32-22-11-14-24(20(3)18-22)31-19-25(27)28/h9-14,18H,4-8,15-17,19H2,1-3H3,(H,27,28)