2-chloranyl-6-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylphenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylphenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile CAS Name: 2-chloro-6-[4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonylphenoxy]benzonitrile Formula: C26H22ClN3O6S MolecularWeight: 539.98738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Cl)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Cl)C#N

InChI

InChI=1S/C26H22ClN3O6S/c27-21-4-3-7-22(20(21)16-28)35-18-8-10-19(11-9-18)37(32,33)30-14-12-29(13-15-30)26(31)25-17-34-23-5-1-2-6-24(23)36-25/h1-11,25H,12-15,17H2