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

Systemtic Name: 2-[4-(2-adamantylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(adamantane-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(adamantane-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[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=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

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