3-(piperazin-1-ylsulfonylmethyl)benzenecarbonitrile

Systemtic Name: 3-(piperazin-1-ylsulfonylmethyl)benzenecarbonitrile Openeye Name: 3-(piperazin-1-ylsulfonylmethyl)benzonitrile CAS Name: 3-(1-piperazinylsulfonylmethyl)benzonitrile IUPAC Name: 3-(piperazin-1-ylsulfonylmethyl)benzonitrile Traditional Name: 3-(piperazinosulfonylmethyl)benzonitrile Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H15N3O2S/c13-9-11-2-1-3-12(8-11)10-18(16,17)15-6-4-14-5-7-15/h1-3,8,14H,4-7,10H2