N-[1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C26H38N2O4S MolecularWeight: 474.65592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H38N2O4S/c1-3-32-23-4-6-24(7-5-23)33(30,31)28-10-8-22(9-11-28)25(29)27-18(2)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-7,18-22H,3,8-17H2,1-2H3,(H,27,29)