N-(3-chloranyl-2-fluoranyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-fluoranyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-fluoro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-fluoro-phenyl)isonipecotamide Formula: C20H20ClFN2O4S MolecularWeight: 438.900203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H20ClFN2O4S/c1-13(25)14-5-7-16(8-6-14)29(27,28)24-11-9-15(10-12-24)20(26)23-18-4-2-3-17(21)19(18)22/h2-8,15H,9-12H2,1H3,(H,23,26)