ethyl 7-[[5-(4-fluorophenyl)sulfanyl-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[5-(4-fluorophenyl)sulfanyl-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-(4-fluorophenyl)sulfanyl-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-[(4-fluorophenyl)thio]-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(4-fluorophenyl)sulfanyl-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-[(4-fluorophenyl)thio]-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C21H34FNO5S2 MolecularWeight: 463.626763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(CSC1=CC=C(C=C1)F)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(CSC1=CC=C(C=C1)F)O)S(=O)(=O)C

InChI

InChI=1S/C21H34FNO5S2/c1-3-28-21(25)10-6-4-5-7-15-23(30(2,26)27)16-8-9-19(24)17-29-20-13-11-18(22)12-14-20/h11-14,19,24H,3-10,15-17H2,1-2H3