2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C18H15BrClN3O3S MolecularWeight: 468.752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H15BrClN3O3S/c19-14-5-6-16(20)15(11-14)18(24)22-7-9-23(10-8-22)27(25,26)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2