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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N3O5S/c21-14-16-3-1-2-4-19(16)29(25,26)23-9-7-22(8-10-23)20(24)15-5-6-17-18(13-15)28-12-11-27-17/h1-6,13H,7-12H2