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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C19H17ClF4N2O3S MolecularWeight: 464.861493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF4N2O3S/c20-16-11-14(4-5-17(16)21)25-18(27)12-6-8-26(9-7-12)30(28,29)15-3-1-2-13(10-15)19(22,23)24/h1-5,10-12H,6-9H2,(H,25,27)