4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,5-dibromophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H17Br2N3O2S MolecularWeight: 499.21948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C18H17Br2N3O2S/c19-16-5-6-17(20)18(11-16)26(24,25)23-9-7-22(8-10-23)13-15-3-1-14(12-21)2-4-15/h1-6,11H,7-10,13H2