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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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