tert-butyl 5-chloranyl-2-[4-cyclopropyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-[4-cyclopropyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-cyclopropyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-cyclopropyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-cyclopropyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-cyclopropyl-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C21H28ClF3N2O6S2 MolecularWeight: 561.03503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C(F)(F)F)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C(F)(F)F)C3CC3

InChI

InChI=1S/C21H28ClF3N2O6S2/c1-19(2,3)33-18(28)16-12-15(22)6-7-17(16)34(29,30)27-10-8-20(9-11-27,14-4-5-14)13-26-35(31,32)21(23,24)25/h6-7,12,14,26H,4-5,8-11,13H2,1-3H3