1-adamantyl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C23H30N2O3S/c26-22(23-15-19-12-20(16-23)14-21(13-19)17-23)24-7-9-25(10-8-24)29(27,28)11-6-18-4-2-1-3-5-18/h1-6,11,19-21H,7-10,12-17H2/b11-6+