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

Systemtic Name: 4-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(4-bromophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(4-bromophenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18BrN3O3S/c20-17-5-1-15(2-6-17)13-19(24)22-9-11-23(12-10-22)27(25,26)18-7-3-16(14-21)4-8-18/h1-8H,9-13H2