1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-furylmethyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-furanylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-furfuryl)isonipecotamide Formula: C18H18ClF3N2O4S MolecularWeight: 450.85973

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H18ClF3N2O4S/c19-16-4-3-14(10-15(16)18(20,21)22)29(26,27)24-7-5-12(6-8-24)17(25)23-11-13-2-1-9-28-13/h1-4,9-10,12H,5-8,11H2,(H,23,25)