3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-brosylpiperazine-1-carbonyl)benzonitrile Formula: C18H16BrN3O3S MolecularWeight: 434.30694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O3S/c19-16-4-6-17(7-5-16)26(24,25)22-10-8-21(9-11-22)18(23)15-3-1-2-14(12-15)13-20/h1-7,12H,8-11H2