3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C20H21N3O3S/c1-15-6-7-19(16(2)12-15)27(25,26)23-10-8-22(9-11-23)20(24)18-5-3-4-17(13-18)14-21/h3-7,12-13H,8-11H2,1-2H3