2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylmethanoate

Systemtic Name: 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylmethanoate Openeye Name: 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate CAS Name: [(4-fluorophenyl)thio]formic acid 2-[4-(4-cyano-5-methyl-4-phenylhexyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate Traditional Name: [(4-fluorophenyl)thio]formic acid 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazino]ethyl ester Formula: C27H34FN3O2S MolecularWeight: 483.641163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC(=O)SC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC(=O)SC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H34FN3O2S/c1-22(2)27(21-29,23-7-4-3-5-8-23)13-6-14-30-15-17-31(18-16-30)19-20-33-26(32)34-25-11-9-24(28)10-12-25/h3-5,7-12,22H,6,13-20H2,1-2H3