2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-oxopiperazin-1-yl)sulfonylmethyl]benzonitrile CAS Name: 2-[(3-oxo-1-piperazinyl)sulfonylmethyl]benzonitrile IUPAC Name: 2-[(3-oxopiperazin-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 2-[(3-ketopiperazino)sulfonylmethyl]benzonitrile Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=CC=C2C#N

InChI

InChI=1S/C12H13N3O3S/c13-7-10-3-1-2-4-11(10)9-19(17,18)15-6-5-14-12(16)8-15/h1-4H,5-6,8-9H2,(H,14,16)