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

Systemtic Name: N-(1-adamantylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-mesitylsulfonyl-isonipecotamide Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H38N2O3S/c1-17-8-18(2)24(19(3)9-17)32(30,31)28-6-4-23(5-7-28)25(29)27-16-26-13-20-10-21(14-26)12-22(11-20)15-26/h8-9,20-23H,4-7,10-16H2,1-3H3,(H,27,29)