2-chloranyl-5-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-5-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloro-5-fluoro-benzonitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-chloro-5-fluorobenzonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloro-5-fluorobenzonitrile Traditional Name: 4-(4-besylpiperazino)-2-chloro-5-fluoro-benzonitrile Formula: C17H15ClFN3O2S MolecularWeight: 379.836303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C#N)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C#N)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClFN3O2S/c18-15-11-17(16(19)10-13(15)12-20)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9H2