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

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

Isomeric SMILES

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

InChI

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