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

Systemtic Name: 2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]benzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C)C

InChI

InChI=1S/C22H27N3O2S/c1-15-16(2)18(4)22(19(5)17(15)3)28(26,27)25-12-10-24(11-13-25)21-9-7-6-8-20(21)14-23/h6-9H,10-13H2,1-5H3