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

Systemtic Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(cyclobutylmethoxy)-5-mesyl-benzoyl]piperazino]-3-fluoro-benzonitrile Formula: C24H26FN3O4S MolecularWeight: 471.544343

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C24H26FN3O4S/c1-33(30,31)19-6-8-23(32-16-17-3-2-4-17)20(14-19)24(29)28-11-9-27(10-12-28)22-7-5-18(15-26)13-21(22)25/h5-8,13-14,17H,2-4,9-12,16H2,1H3