2-[4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(difluoromethoxy)-3-methoxy-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(difluoromethoxy)-3-methoxy-benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H19F2N3O5S MolecularWeight: 451.443766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC(F)F

InChI

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