tert-butyl 4-[2-[4-(3-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(3-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(3-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(3-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(3-fluoro-4-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=CC(=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

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

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)19-5-6-21(20(24)17-19)32(4,29)30/h5-6,17-18H,7-16H2,1-4H3