2-[4-(8-chloranylnaphthalen-1-yl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(8-chloranylnaphthalen-1-yl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(8-chloro-1-naphthyl)sulfonyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[(8-chloro-1-naphthalenyl)sulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(8-chloro-1-naphthyl)sulfonyl]piperazino]benzonitrile Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-18-8-3-6-16-7-4-10-20(21(16)18)28(26,27)25-13-11-24(12-14-25)19-9-2-1-5-17(19)15-23/h1-10H,11-14H2