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

Systemtic Name: 4-[4-(2-cyclopentyloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclopentoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[(2-cyclopentyloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(2-cyclopentyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(cyclopentoxy)-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)OC2CCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C24H26FN3O4S/c1-33(30,31)19-7-9-23(32-18-4-2-3-5-18)20(15-19)24(29)28-12-10-27(11-13-28)22-8-6-17(16-26)14-21(22)25/h6-9,14-15,18H,2-5,10-13H2,1H3