4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[[2-(2,2-dimethylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[4-(5-mesyl-2-neopentyloxy-benzoyl)piperazino]benzonitrile Formula: C24H28FN3O4S MolecularWeight: 473.560223

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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=C(C=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN3O4S/c1-24(2,3)16-32-22-8-6-18(33(4,30)31)14-19(22)23(29)28-11-9-27(10-12-28)21-7-5-17(15-26)13-20(21)25/h5-8,13-14H,9-12,16H2,1-4H3