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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-prop-2-ynyl-piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-prop-2-ynyl-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-prop-2-ynylpiperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propargyl-isonipecotamide Formula: C16H16ClF3N2O3S MolecularWeight: 408.82305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N2O3S/c1-2-7-21-15(23)11-5-8-22(9-6-11)26(24,25)12-3-4-14(17)13(10-12)16(18,19)20/h1,3-4,10-11H,5-9H2,(H,21,23)