cyclohexyl 2-[[4-(4-fluorophenyl)-5-(methylsulfonylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[4-(4-fluorophenyl)-5-(methylsulfonylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C18H23FN4O4S2 MolecularWeight: 442.528023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)OC3CCCCC3

Isomeric SMILES

CS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C18H23FN4O4S2/c1-29(25,26)20-11-16-21-22-18(23(16)14-9-7-13(19)8-10-14)28-12-17(24)27-15-5-3-2-4-6-15/h7-10,15,20H,2-6,11-12H2,1H3