1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)isonipecotamide Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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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)F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O3S/c1-2-14-4-3-5-16(12-14)23-20(25)15-8-10-24(11-9-15)28(26,27)17-6-7-18(21)19(22)13-17/h1,3-7,12-13,15H,8-11H2,(H,23,25)