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

Systemtic Name: 2-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[4-(2-isopropoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[4-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[4-(2-isopropoxy-5-mesyl-benzoyl)piperazino]-5-(trifluoromethyl)benzonitrile Formula: C23H24F3N3O4S MolecularWeight: 495.51457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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)OC1=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/C23H24F3N3O4S/c1-15(2)33-21-7-5-18(34(3,31)32)13-19(21)22(30)29-10-8-28(9-11-29)20-6-4-17(23(24,25)26)12-16(20)14-27/h4-7,12-13,15H,8-11H2,1-3H3