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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazino]sulfonylbenzonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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