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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazino]sulfonylbenzonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H17N3O4S/c19-12-14-2-1-3-16(10-14)26(22,23)21-8-6-20(7-9-21)15-4-5-17-18(11-15)25-13-24-17/h1-5,10-11H,6-9,13H2