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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(2-phenylbutyl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(2-phenylbutyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-phenylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-phenylbutyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(2-phenylbutyl)isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClFN2O3S/c1-2-16(17-6-4-3-5-7-17)15-25-22(27)18-10-12-26(13-11-18)30(28,29)19-8-9-21(24)20(23)14-19/h3-9,14,16,18H,2,10-13,15H2,1H3,(H,25,27)