2-[4-[2-(2-bromanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-bromanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-bromophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-bromophenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-bromophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-bromophenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18BrN3O4S/c20-16-6-2-3-7-17(16)27-14-19(24)22-9-11-23(12-10-22)28(25,26)18-8-4-1-5-15(18)13-21/h1-8H,9-12,14H2