4-[2-[2,6-dimethyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[2,6-dimethyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylsulfonyl-2,6-dimethyl-piperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[2,6-dimethyl-4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-(4-benzylsulfonyl-2,6-dimethylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-(4-benzylsulfonyl-2,6-dimethyl-piperazino)-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2S/c1-19-15-29(33(31,32)17-23-6-4-3-5-7-23)16-20(2)30(19)25(24-14-27-18-28-24)12-21-8-10-22(13-26)11-9-21/h3-11,14,18-20,25H,12,15-17H2,1-2H3,(H,27,28)