tert-butyl 4-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)sulfonylnipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30FN3O5S MolecularWeight: 455.543403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O5S/c1-21(2,3)30-20(27)24-13-11-23(12-14-24)19(26)16-5-4-10-25(15-16)31(28,29)18-8-6-17(22)7-9-18/h6-9,16H,4-5,10-15H2,1-3H3