4-[2-(11-ethylsulfinylundecanoylamino)-4-methylsulfonyl-phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(11-ethylsulfinylundecanoylamino)-4-methylsulfonyl-phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(11-ethylsulfinylundecanoylamino)-4-methylsulfonyl-phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(11-ethylsulfinyl-1-oxoundecyl)amino]-4-methylsulfonylphenyl]thio]butanoic acid IUPAC Name: 4-[2-(11-ethylsulfinylundecanoylamino)-4-methylsulfonylphenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(11-ethylsulfinylundecanoylamino)-4-mesyl-phenyl]thio]butyric acid Formula: C24H39NO6S3 MolecularWeight: 533.76456

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCCCCCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)SCCCC(=O)O

Isomeric SMILES

CCS(=O)CCCCCCCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)SCCCC(=O)O

InChI

InChI=1S/C24H39NO6S3/c1-3-33(29)18-11-9-7-5-4-6-8-10-13-23(26)25-21-19-20(34(2,30)31)15-16-22(21)32-17-12-14-24(27)28/h15-16,19H,3-14,17-18H2,1-2H3,(H,25,26)(H,27,28)