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

Systemtic Name: N-(1-adamantyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C22H28ClFN2O3S MolecularWeight: 454.985723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H28ClFN2O3S/c23-19-10-18(1-2-20(19)24)30(28,29)26-5-3-17(4-6-26)21(27)25-22-11-14-7-15(12-22)9-16(8-14)13-22/h1-2,10,14-17H,3-9,11-13H2,(H,25,27)