4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[2-(2,2-dimethylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(5-mesyl-2-neopentyloxy-benzoyl)piperazino]benzonitrile Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)17-31-22-10-9-20(32(4,29)30)15-21(22)23(28)27-13-11-26(12-14-27)19-7-5-18(16-25)6-8-19/h5-10,15H,11-14,17H2,1-4H3