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

Systemtic Name: 4-[4-(2-cyclopentyloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-2,3-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclopentoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-2,3-difluoro-benzonitrile CAS Name: 4-[4-[(2-cyclopentyloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-2,3-difluorobenzonitrile IUPAC Name: 4-[4-(2-cyclopentyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-2,3-difluorobenzonitrile Traditional Name: 4-[4-[2-(cyclopentoxy)-5-mesyl-benzoyl]piperazino]-2,3-difluoro-benzonitrile Formula: C24H25F2N3O4S MolecularWeight: 489.534806

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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)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)F

InChI

InChI=1S/C24H25F2N3O4S/c1-34(31,32)18-7-9-21(33-17-4-2-3-5-17)19(14-18)24(30)29-12-10-28(11-13-29)20-8-6-16(15-27)22(25)23(20)26/h6-9,14,17H,2-5,10-13H2,1H3