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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-piperonylpiperazino)sulfonylbenzonitrile Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H19N3O4S/c20-12-15-2-1-3-17(10-15)27(23,24)22-8-6-21(7-9-22)13-16-4-5-18-19(11-16)26-14-25-18/h1-5,10-11H,6-9,13-14H2