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

Systemtic Name: 2-[2-methyl-4-[2-[(4-propan-2-ylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-isopropylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[(4-propan-2-ylphenyl)sulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[(4-propan-2-ylphenyl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[p-cumenylsulfonyl(propyl)amino]ethylthio]phenoxy]acetic acid Formula: C23H31NO5S2 MolecularWeight: 465.62594

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S2/c1-5-12-24(31(27,28)21-9-6-19(7-10-21)17(2)3)13-14-30-20-8-11-22(18(4)15-20)29-16-23(25)26/h6-11,15,17H,5,12-14,16H2,1-4H3,(H,25,26)