tert-butyl 4-[2-[4-(5-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(5-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(5-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(5-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(5-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(5-fluoro-2-mesyl-phenyl)piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36FN3O4S MolecularWeight: 469.613043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=C(C=CC(=C3)F)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=C(C=CC(=C3)F)S(=O)(=O)C

InChI

InChI=1S/C23H36FN3O4S/c1-23(2,3)31-22(28)27-11-8-18(9-12-27)7-10-25-13-15-26(16-14-25)20-17-19(24)5-6-21(20)32(4,29)30/h5-6,17-18H,7-16H2,1-4H3