4-[4-(furan-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-furylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-furanylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-furfuryl)piperazino]sulfonylbenzonitrile Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17N3O3S/c17-12-14-3-5-16(6-4-14)23(20,21)19-9-7-18(8-10-19)13-15-2-1-11-22-15/h1-6,11H,7-10,13H2