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

Systemtic Name: 4-[4-(2-cyclohexyloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclohexoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[(2-cyclohexyloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(2-cyclohexyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(cyclohexoxy)-5-mesyl-benzoyl]piperazino]-3-fluoro-benzonitrile Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCCCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H28FN3O4S/c1-34(31,32)20-8-10-24(33-19-5-3-2-4-6-19)21(16-20)25(30)29-13-11-28(12-14-29)23-9-7-18(17-27)15-22(23)26/h7-10,15-16,19H,2-6,11-14H2,1H3