4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(4-piperonyloylpiperazino)sulfonylbenzonitrile Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H17N3O5S/c20-12-14-1-4-16(5-2-14)28(24,25)22-9-7-21(8-10-22)19(23)15-3-6-17-18(11-15)27-13-26-17/h1-6,11H,7-10,13H2