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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C)S(=O)(=O)CC4=CC=CC=C4

InChI

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