N-tert-butyl-1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-tert-butyl-1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C17H22ClF3N2O3S MolecularWeight: 426.88139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C17H22ClF3N2O3S/c1-16(2,3)22-15(24)11-6-8-23(9-7-11)27(25,26)14-10-12(17(19,20)21)4-5-13(14)18/h4-5,10-11H,6-9H2,1-3H3,(H,22,24)