N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H38N2O3S/c1-17-4-5-24(18(2)10-17)32(30,31)28-8-6-23(7-9-28)25(29)27-19(3)26-14-20-11-21(15-26)13-22(12-20)16-26/h4-5,10,19-23H,6-9,11-16H2,1-3H3,(H,27,29)