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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-piperonylpiperazino)sulfonylbenzonitrile Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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