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

Systemtic Name: 7-[[5-(4-fluorophenyl)sulfanyl-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[5-(4-fluorophenyl)sulfanyl-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[5-[(4-fluorophenyl)thio]-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[5-(4-fluorophenyl)sulfanyl-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[5-[(4-fluorophenyl)thio]-4-hydroxy-pentyl]-mesyl-amino]enanthic acid Formula: C19H30FNO5S2 MolecularWeight: 435.573603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30FNO5S2/c1-28(25,26)21(13-5-3-2-4-8-19(23)24)14-6-7-17(22)15-27-18-11-9-16(20)10-12-18/h9-12,17,22H,2-8,13-15H2,1H3,(H,23,24)