4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)19-8-10-20(11-9-19)29(27,28)25-14-12-24(13-15-25)21(26)18-6-4-17(16-23)5-7-18/h4-11H,12-15H2,1-3H3