2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylsulfonyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazino]acetonitrile Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CC#N)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O4S/c14-3-4-15-5-7-16(8-6-15)21(17,18)11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,4-8,10H2