2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-brosylpiperazine-1-carbonyl)phenyl]thio]acetonitrile Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S2/c20-15-5-7-16(8-6-15)28(25,26)23-12-10-22(11-13-23)19(24)17-3-1-2-4-18(17)27-14-9-21/h1-8H,10-14H2