2-[2-methyl-4-[2-[2-naphthalen-1-ylethylsulfonyl(propyl)amino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-[2-naphthalen-1-ylethylsulfonyl(propyl)amino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[2-(1-naphthyl)ethylsulfonyl-propyl-amino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-[2-(1-naphthalenyl)ethylsulfonyl-propylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-[2-naphthalen-1-ylethylsulfonyl(propyl)amino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-[2-(1-naphthyl)ethylsulfonyl-propyl-amino]ethylthio]phenoxy]acetic acid Formula: C26H31NO5S2 MolecularWeight: 501.65804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H31NO5S2/c1-3-14-27(15-16-33-23-11-12-25(20(2)18-23)32-19-26(28)29)34(30,31)17-13-22-9-6-8-21-7-4-5-10-24(21)22/h4-12,18H,3,13-17,19H2,1-2H3,(H,28,29)