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

Systemtic Name: 3-fluoranyl-4-[4-(5-methylsulfonyl-2-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[5-methylsulfonyl-2-(1-piperidyl)benzoyl]piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-[[5-methylsulfonyl-2-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(5-methylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-(5-mesyl-2-piperidino-benzoyl)piperazino]benzonitrile Formula: C24H27FN4O3S MolecularWeight: 470.559583

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C24H27FN4O3S/c1-33(31,32)19-6-8-22(27-9-3-2-4-10-27)20(16-19)24(30)29-13-11-28(12-14-29)23-7-5-18(17-26)15-21(23)25/h5-8,15-16H,2-4,9-14H2,1H3