N-[1-(1-adamantyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3S/c1-19(26-16-21-13-22(17-26)15-23(14-21)18-26)27-25(29)24-7-10-28(11-8-24)32(30,31)12-9-20-5-3-2-4-6-20/h2-6,9,12,19,21-24H,7-8,10-11,13-18H2,1H3,(H,27,29)/b12-9+