tert-butyl 4-[4-[3-fluoranyl-4-[(E)-pent-1-enyl]phenyl]piperazin-1-yl]sulfonyl-1-propyl-piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-fluoranyl-4-[(E)-pent-1-enyl]phenyl]piperazin-1-yl]sulfonyl-1-propyl-piperidine-4-carboxylate Openeye Name: tert-butyl 4-[4-[3-fluoro-4-[(E)-pent-1-enyl]phenyl]piperazin-1-yl]sulfonyl-1-propyl-piperidine-4-carboxylate CAS Name: 4-[[4-[3-fluoro-4-[(E)-pent-1-enyl]phenyl]-1-piperazinyl]sulfonyl]-1-propyl-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-fluoro-4-[(E)-pent-1-enyl]phenyl]piperazin-1-yl]sulfonyl-1-propylpiperidine-4-carboxylate Traditional Name: 4-[4-[3-fluoro-4-[(E)-pent-1-enyl]phenyl]piperazino]sulfonyl-1-propyl-isonipecotic acid tert-butyl ester Formula: C28H44FN3O4S MolecularWeight: 537.730063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CCC)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCC/C=C/C1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CCC)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C28H44FN3O4S/c1-6-8-9-10-23-11-12-24(22-25(23)29)31-18-20-32(21-19-31)37(34,35)28(26(33)36-27(3,4)5)13-16-30(15-7-2)17-14-28/h9-12,22H,6-8,13-21H2,1-5H3/b10-9+