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

Systemtic Name: 4-[4-(2-cyclobutyloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclobutoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-2-fluoro-benzonitrile CAS Name: 4-[4-[(2-cyclobutyloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-(2-cyclobutyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-2-fluorobenzonitrile Traditional Name: 4-[4-[2-(cyclobutoxy)-5-mesyl-benzoyl]piperazino]-2-fluoro-benzonitrile Formula: C23H24FN3O4S MolecularWeight: 457.517763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCC2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCC2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C23H24FN3O4S/c1-32(29,30)19-7-8-22(31-18-3-2-4-18)20(14-19)23(28)27-11-9-26(10-12-27)17-6-5-16(15-25)21(24)13-17/h5-8,13-14,18H,2-4,9-12H2,1H3