4-[2-(20-ethylsulfonylicosanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(20-ethylsulfonylicosanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(20-ethylsulfonylicosanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(20-ethylsulfonyl-1-oxoeicosyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(20-ethylsulfonylicosanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(20-esyleicosanoylamino)phenyl]thio]butyric acid Formula: C32H55NO5S2 MolecularWeight: 597.9128

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCS(=O)(=O)CCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C32H55NO5S2/c1-2-40(37,38)28-21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-25-31(34)33-29-23-19-20-24-30(29)39-27-22-26-32(35)36/h19-20,23-24H,2-18,21-22,25-28H2,1H3,(H,33,34)(H,35,36)