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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3S/c1-2-25(27-17-21-14-22(18-27)16-23(15-21)19-27)28-26(30)24-8-11-29(12-9-24)33(31,32)13-10-20-6-4-3-5-7-20/h3-7,10,13,21-25H,2,8-9,11-12,14-19H2,1H3,(H,28,30)/b13-10+