2-[4-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[4-(2-isobutoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[4-[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[4-[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[4-(2-isobutoxy-5-mesyl-benzoyl)piperazino]-5-(trifluoromethyl)benzonitrile Formula: C24H26F3N3O4S MolecularWeight: 509.54115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3N3O4S/c1-16(2)15-34-22-7-5-19(35(3,32)33)13-20(22)23(31)30-10-8-29(9-11-30)21-6-4-18(24(25,26)27)12-17(21)14-28/h4-7,12-13,16H,8-11,15H2,1-3H3