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

Systemtic Name: tert-butyl 4-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-fluoro-4-mesyl-phenyl)piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34FN3O4S MolecularWeight: 455.586463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34FN3O4S/c1-22(2,3)30-21(27)26-9-7-17(8-10-26)16-24-11-13-25(14-12-24)20-6-5-18(15-19(20)23)31(4,28)29/h5-6,15,17H,7-14,16H2,1-4H3