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

Systemtic Name: 3-fluoranyl-4-[4-(5-methylsulfonyl-2-phenyl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(5-methylsulfonyl-2-phenyl-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-[(5-methylsulfonyl-2-phenylphenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(5-methylsulfonyl-2-phenylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-(5-mesyl-2-phenyl-benzoyl)piperazino]benzonitrile Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H22FN3O3S/c1-33(31,32)20-8-9-21(19-5-3-2-4-6-19)22(16-20)25(30)29-13-11-28(12-14-29)24-10-7-18(17-27)15-23(24)26/h2-10,15-16H,11-14H2,1H3