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

Systemtic Name: 3-fluoranyl-4-[4-[2-[(2-methylpropan-2-yl)oxy]-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-tert-butoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[4-[[2-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-tert-butoxy-5-mesyl-benzoyl)piperazino]-3-fluoro-benzonitrile Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=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)OC1=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/C23H26FN3O4S/c1-23(2,3)31-21-8-6-17(32(4,29)30)14-18(21)22(28)27-11-9-26(10-12-27)20-7-5-16(15-25)13-19(20)24/h5-8,13-14H,9-12H2,1-4H3