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

Systemtic Name: tert-butyl 4-[1-fluoranyl-2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-fluoro-2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[1-fluoro-2-[4-(4-methylsulfonylphenyl)-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-fluoro-2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[1-fluoro-2-[4-(4-mesylphenyl)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)C(CN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(CN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)F

InChI

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