2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1-adamantyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(1-adamantyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C23H29N3O3S/c24-16-20-3-1-2-4-21(20)30(28,29)26-7-5-25(6-8-26)22(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19H,5-15H2