1-ethyl-4-[4-(3-fluoranyl-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-ethyl-4-[4-(3-fluoranyl-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-ethyl-4-[4-(3-fluoro-4-pentyl-phenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-ethyl-4-[[4-(3-fluoro-4-pentylphenyl)-1-piperazinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-ethyl-4-[4-(3-fluoro-4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-[4-(4-amyl-3-fluoro-phenyl)piperazino]sulfonyl-1-ethyl-isonipecotic acid Formula: C23H36FN3O4S MolecularWeight: 469.613043

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C23H36FN3O4S/c1-3-5-6-7-19-8-9-20(18-21(19)24)26-14-16-27(17-15-26)32(30,31)23(22(28)29)10-12-25(4-2)13-11-23/h8-9,18H,3-7,10-17H2,1-2H3,(H,28,29)