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

Systemtic Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-15-12-16(2)18(4)21(17(15)3)29(27,28)25-10-8-24(9-11-25)22(26)20-7-5-6-19(13-20)14-23/h5-7,12-13H,8-11H2,1-4H3