2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-bromophenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-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=C2)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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