2-[2-methyl-4-[2-[(6-phenoxypyridin-3-yl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-[(6-phenoxypyridin-3-yl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[(6-phenoxy-3-pyridyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[(6-phenoxy-3-pyridinyl)sulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[(6-phenoxypyridin-3-yl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[(6-phenoxy-3-pyridyl)sulfonyl-propyl-amino]ethylthio]phenoxy]acetic acid Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CN=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CN=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O6S2/c1-3-13-27(14-15-34-21-9-11-23(19(2)16-21)32-18-25(28)29)35(30,31)22-10-12-24(26-17-22)33-20-7-5-4-6-8-20/h4-12,16-17H,3,13-15,18H2,1-2H3,(H,28,29)