2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-phenylphenyl)sulfonylpiperazino]benzonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c24-18-21-8-4-5-9-23(21)25-14-16-26(17-15-25)29(27,28)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-13H,14-17H2