2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H19N3O5S/c20-11-14-3-1-2-4-19(14)28(24,25)22-7-5-21(6-8-22)12-15-9-17-18(10-16(15)23)27-13-26-17/h1-4,9-10,23H,5-8,12-13H2