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

Systemtic Name: tert-butyl 4-[2-[4-(3-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]ethanoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(3-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]acetyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(3-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]-1-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]acetyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(3-fluoro-4-mesyl-phenyl)piperazino]acetyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H34FN3O5S MolecularWeight: 483.596563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34FN3O5S/c1-23(2,3)32-22(29)27-9-7-17(8-10-27)20(28)16-25-11-13-26(14-12-25)18-5-6-21(19(24)15-18)33(4,30)31/h5-6,15,17H,7-14,16H2,1-4H3