tert-butyl 4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29F2N3O5S MolecularWeight: 473.533866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H29F2N3O5S/c1-21(2,3)31-20(28)25-8-6-15(7-9-25)19(27)24-10-12-26(13-11-24)32(29,30)18-14-16(22)4-5-17(18)23/h4-5,14-15H,6-13H2,1-3H3