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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-ethynylphenyl)isonipecotamide Formula: C21H18ClF3N2O3S MolecularWeight: 470.89243

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N2O3S/c1-2-14-4-3-5-16(12-14)26-20(28)15-8-10-27(11-9-15)31(29,30)17-6-7-19(22)18(13-17)21(23,24)25/h1,3-7,12-13,15H,8-11H2,(H,26,28)