N-(2-adamantyl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(5-fluoro-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-adamantyl)-1-(5-fluoro-2-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-adamantyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-adamantyl)-1-(5-fluoro-2-methyl-phenyl)sulfonyl-isonipecotamide Formula: C23H31FN2O3S MolecularWeight: 434.567243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H31FN2O3S/c1-14-2-3-20(24)13-21(14)30(28,29)26-6-4-17(5-7-26)23(27)25-22-18-9-15-8-16(11-18)12-19(22)10-15/h2-3,13,15-19,22H,4-12H2,1H3,(H,25,27)