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

Systemtic Name: 2,5-bis(fluoranyl)-4-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2,5-difluoro-4-[4-(2-isopropoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 2,5-difluoro-4-[4-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2,5-difluoro-4-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2,5-difluoro-4-[4-(2-isopropoxy-5-mesyl-benzoyl)piperazino]benzonitrile Formula: C22H23F2N3O4S MolecularWeight: 463.497526

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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)F)C#N)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C(=C3)F)C#N)F

InChI

InChI=1S/C22H23F2N3O4S/c1-14(2)31-21-5-4-16(32(3,29)30)11-17(21)22(28)27-8-6-26(7-9-27)20-12-18(23)15(13-25)10-19(20)24/h4-5,10-12,14H,6-9H2,1-3H3