4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,5-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)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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