tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropyl-amino]piperidine-1-carboxylate CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]piperidine-1-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-cyclopropyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26F6N2O4S MolecularWeight: 516.497559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H26F6N2O4S/c1-19(2,3)33-18(30)28-8-6-16(7-9-28)29(15-4-5-15)34(31,32)17-11-13(20(22,23)24)10-14(12-17)21(25,26)27/h10-12,15-16H,4-9H2,1-3H3