N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H20ClF3N2O3S MolecularWeight: 460.89761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClF3N2O3S/c21-18-7-6-16(12-17(18)20(22,23)24)25-19(27)15-8-10-26(11-9-15)30(28,29)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,27)