N-(1-adamantyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-mesitylsulfonyl-isonipecotamide Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H36N2O3S/c1-16-8-17(2)23(18(3)9-16)31(29,30)27-6-4-22(5-7-27)24(28)26-25-13-19-10-20(14-25)12-21(11-19)15-25/h8-9,19-22H,4-7,10-15H2,1-3H3,(H,26,28)