4-[4-(2-adamantylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-adamantylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(adamantane-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(adamantane-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(adamantane-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H27N3O3S/c23-14-15-1-3-20(4-2-15)29(27,28)25-7-5-24(6-8-25)22(26)21-18-10-16-9-17(12-18)13-19(21)11-16/h1-4,16-19,21H,5-13H2