7-[2-(11-ethylsulfinylundecanoylamino)-3-methyl-phenyl]sulfanylheptanoic acid

Systemtic Name: 7-[2-(11-ethylsulfinylundecanoylamino)-3-methyl-phenyl]sulfanylheptanoic acid Openeye Name: 7-[2-(11-ethylsulfinylundecanoylamino)-3-methyl-phenyl]sulfanylheptanoic acid CAS Name: 7-[[2-[(11-ethylsulfinyl-1-oxoundecyl)amino]-3-methylphenyl]thio]heptanoic acid IUPAC Name: 7-[2-(11-ethylsulfinylundecanoylamino)-3-methylphenyl]sulfanylheptanoic acid Traditional Name: 7-[[2-(11-ethylsulfinylundecanoylamino)-3-methyl-phenyl]thio]enanthic acid Formula: C27H45NO4S2 MolecularWeight: 511.7805

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCCCCCCCCC(=O)NC1=C(C=CC=C1SCCCCCCC(=O)O)C

Isomeric SMILES

CCS(=O)CCCCCCCCCCC(=O)NC1=C(C=CC=C1SCCCCCCC(=O)O)C

InChI

InChI=1S/C27H45NO4S2/c1-3-34(32)22-15-11-7-5-4-6-8-12-19-25(29)28-27-23(2)17-16-18-24(27)33-21-14-10-9-13-20-26(30)31/h16-18H,3-15,19-22H2,1-2H3,(H,28,29)(H,30,31)