N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C26H38N2O5S/c1-17(26-14-18-10-19(15-26)12-20(11-18)16-26)27-25(29)21-6-8-28(9-7-21)34(30,31)22-4-5-23(32-2)24(13-22)33-3/h4-5,13,17-21H,6-12,14-16H2,1-3H3,(H,27,29)