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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C24H32ClFN2O3S MolecularWeight: 483.038883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C24H32ClFN2O3S/c1-15(24-12-16-8-17(13-24)10-18(9-16)14-24)27-23(29)19-4-6-28(7-5-19)32(30,31)20-2-3-22(26)21(25)11-20/h2-3,11,15-19H,4-10,12-14H2,1H3,(H,27,29)