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

Systemtic Name: 4-[[3-[3-(bromomethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[3-(bromomethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[3-[3-(bromomethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[3-[3-(bromomethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-[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)C(N1)S(=O)(=O)C2=CC=CC(=C2)CBr)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(=O)C(N1)S(=O)(=O)C2=CC=CC(=C2)CBr)CC3=CC=C(C=C3)C#N

InChI

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