6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C)C

InChI

InChI=1S/C21H26N4O2S/c1-14-15(2)17(4)21(18(5)16(14)3)28(26,27)25-10-8-24(9-11-25)20-7-6-19(12-22)13-23-20/h6-7,13H,8-11H2,1-5H3