N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[1-(2,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]adamantane-1-carboxamide CAS Name: N-[[1-(2,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[1-(2,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]adamantane-1-carboxamide Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H36N2O5S/c1-31-21-3-4-23(22(12-21)32-2)33(29,30)27-7-5-17(6-8-27)16-26-24(28)25-13-18-9-19(14-25)11-20(10-18)15-25/h3-4,12,17-20H,5-11,13-16H2,1-2H3,(H,26,28)