[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: (4-brosylpiperazino)-[2-(methylthio)-3-pyridyl]methanone Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O3S2/c1-25-16-15(3-2-8-19-16)17(22)20-9-11-21(12-10-20)26(23,24)14-6-4-13(18)5-7-14/h2-8H,9-12H2,1H3