4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(bromomethyl)phenyl]sulfonyl-2-keto-piperazino]methyl]benzonitrile Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CBr)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CBr)CC3=CC=C(C=C3)C#N

InChI

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