tert-butyl N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]carbamate CAS Name: N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbamate Traditional Name: N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]carbamic acid tert-butyl ester Formula: C18H22F6N2O4S MolecularWeight: 476.433699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H22F6N2O4S/c1-16(2,3)30-15(27)25-13-4-6-26(7-5-13)31(28,29)14-9-11(17(19,20)21)8-12(10-14)18(22,23)24/h8-10,13H,4-7H2,1-3H3,(H,25,27)