7-[methylsulfonyl-(4-oxidanyl-5-phenylsulfanyl-pentyl)amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-(4-oxidanyl-5-phenylsulfanyl-pentyl)amino]heptanoic acid Openeye Name: 7-[(4-hydroxy-5-phenylsulfanyl-pentyl)-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-hydroxy-5-(phenylthio)pentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-hydroxy-5-phenylsulfanylpentyl)-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-hydroxy-5-(phenylthio)pentyl]-mesyl-amino]enanthic acid Formula: C19H31NO5S2 MolecularWeight: 417.58314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(CSC1=CC=CC=C1)O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(CSC1=CC=CC=C1)O

InChI

InChI=1S/C19H31NO5S2/c1-27(24,25)20(14-8-3-2-7-13-19(22)23)15-9-10-17(21)16-26-18-11-5-4-6-12-18/h4-6,11-12,17,21H,2-3,7-10,13-16H2,1H3,(H,22,23)