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

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]sulfonylbenzonitrile Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H19N3O6S2/c20-14-15-2-1-3-16(12-15)29(23,24)21-6-8-22(9-7-21)30(25,26)17-4-5-18-19(13-17)28-11-10-27-18/h1-5,12-13H,6-11H2