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

Systemtic Name: 2-[2-methyl-4-[2-[(3-phenylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[(3-phenylphenyl)sulfonyl-propyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[(3-phenylphenyl)sulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[(3-phenylphenyl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[(3-phenylphenyl)sulfonyl-propyl-amino]ethylthio]phenoxy]acetic acid Formula: C26H29NO5S2 MolecularWeight: 499.64216

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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=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5S2/c1-3-14-27(15-16-33-23-12-13-25(20(2)17-23)32-19-26(28)29)34(30,31)24-11-7-10-22(18-24)21-8-5-4-6-9-21/h4-13,17-18H,3,14-16,19H2,1-2H3,(H,28,29)