2-[4-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-benzylsulfonylpiperazin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-benzylsulfonylpiperazin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-benzylsulfonylpiperazino)methyl]phenyl]benzonitrile Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c26-18-24-8-4-5-9-25(24)23-12-10-21(11-13-23)19-27-14-16-28(17-15-27)31(29,30)20-22-6-2-1-3-7-22/h1-13H,14-17,19-20H2