1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-ethanoylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-ethanoylphenyl)piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(2-chloro-6-fluoro-benzyl)sulfonyl-isonipecotamide Formula: C21H22ClFN2O4S MolecularWeight: 452.926783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O4S/c1-14(26)16-4-2-5-17(12-16)24-21(27)15-8-10-25(11-9-15)30(28,29)13-18-19(22)6-3-7-20(18)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)