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

Systemtic Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(cyclopropylmethoxy)-5-mesyl-benzoyl]piperazino]-3-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)OCC2CC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3