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

Systemtic Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]benzonitrile Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-13-16(2)18(4)21(17(15)3)27(25,26)24-11-9-23(10-12-24)20-8-6-5-7-19(20)14-22/h5-8,13H,9-12H2,1-4H3