tert-butyl 1-ethyl-4-[4-(3-fluoranyl-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-ethyl-4-[4-(3-fluoranyl-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylate Openeye Name: tert-butyl 1-ethyl-4-[4-(3-fluoro-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylate CAS Name: 1-ethyl-4-[[4-(3-fluoro-4-pentylphenyl)-1-piperazinyl]sulfonyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-ethyl-4-[4-(3-fluoro-4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-[4-(4-amyl-3-fluoro-phenyl)piperazino]sulfonyl-1-ethyl-isonipecotic acid tert-butyl ester Formula: C27H44FN3O4S MolecularWeight: 525.719363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C27H44FN3O4S/c1-6-8-9-10-22-11-12-23(21-24(22)28)30-17-19-31(20-18-30)36(33,34)27(25(32)35-26(3,4)5)13-15-29(7-2)16-14-27/h11-12,21H,6-10,13-20H2,1-5H3