2-[4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-bromo-4-chloro-phenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-bromo-4-chloro-phenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H17BrClN3O4S MolecularWeight: 498.77798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H17BrClN3O4S/c20-16-11-15(21)5-6-17(16)28-13-19(25)23-7-9-24(10-8-23)29(26,27)18-4-2-1-3-14(18)12-22/h1-6,11H,7-10,13H2