2-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-keto-3-[4-(4-mesyl-2-nitro-phenyl)piperazino]propyl]thio]acetamide Formula: C16H22N4O6S2 MolecularWeight: 430.49908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCSCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCSCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O6S2/c1-28(25,26)12-2-3-13(14(10-12)20(23)24)18-5-7-19(8-6-18)16(22)4-9-27-11-15(17)21/h2-3,10H,4-9,11H2,1H3,(H2,17,21)