4-[2-(11-tert-butylsulfanylundecanoylamino)-3-methylsulfonyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-(11-tert-butylsulfanylundecanoylamino)-3-methylsulfonyl-phenoxy]butanoic acid Openeye Name: 4-[2-(11-tert-butylsulfanylundecanoylamino)-3-methylsulfonyl-phenoxy]butanoic acid CAS Name: 4-[2-[[11-(tert-butylthio)-1-oxoundecyl]amino]-3-methylsulfonylphenoxy]butanoic acid IUPAC Name: 4-[2-(11-tert-butylsulfanylundecanoylamino)-3-methylsulfonylphenoxy]butanoic acid Traditional Name: 4-[2-[11-(tert-butylthio)undecanoylamino]-3-mesyl-phenoxy]butyric acid Formula: C26H43NO6S2 MolecularWeight: 529.75272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCCCCC(=O)NC1=C(C=CC=C1S(=O)(=O)C)OCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCCCCCCCCCCC(=O)NC1=C(C=CC=C1S(=O)(=O)C)OCCCC(=O)O

InChI

InChI=1S/C26H43NO6S2/c1-26(2,3)34-20-12-10-8-6-5-7-9-11-17-23(28)27-25-21(33-19-14-18-24(29)30)15-13-16-22(25)35(4,31)32/h13,15-16H,5-12,14,17-20H2,1-4H3,(H,27,28)(H,29,30)