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

Systemtic Name: 6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-14-11-15(2)17(4)20(16(14)3)27(25,26)24-9-7-23(8-10-24)19-6-5-18(12-21)13-22-19/h5-6,11,13H,7-10H2,1-4H3