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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C27H40N2O4S MolecularWeight: 488.6825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4S/c1-3-25(27-16-19-13-20(17-27)15-21(14-19)18-27)28-26(30)22-9-11-29(12-10-22)34(31,32)24-7-5-23(6-8-24)33-4-2/h5-8,19-22,25H,3-4,9-18H2,1-2H3,(H,28,30)