2-[4-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H18F2N4O7S MolecularWeight: 496.441326

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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=CC=C3C#N)[N+](=O)[O-])OC(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N4O7S/c1-32-16-10-14(15(26(28)29)11-17(16)33-20(21)22)19(27)24-6-8-25(9-7-24)34(30,31)18-5-3-2-4-13(18)12-23/h2-5,10-11,20H,6-9H2,1H3