6-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(1,1-dimethylpropyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-tert-amylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-4-21(2,3)18-6-8-19(9-7-18)28(26,27)25-13-11-24(12-14-25)20-10-5-17(15-22)16-23-20/h5-10,16H,4,11-14H2,1-3H3