4-[4-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(difluoromethoxy)-4-methoxy-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(difluoromethoxy)-4-methoxyphenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(difluoromethoxy)-4-methoxy-benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H19F2N3O5S MolecularWeight: 451.443766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC(F)F

InChI

InChI=1S/C20H19F2N3O5S/c1-29-17-7-4-15(12-18(17)30-20(21)22)19(26)24-8-10-25(11-9-24)31(27,28)16-5-2-14(13-23)3-6-16/h2-7,12,20H,8-11H2,1H3