N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-(4-mesyl-2-nitro-phenyl)sulfonyl-acetamide Formula: C13H16N2O9S3 MolecularWeight: 440.46914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O9S3/c1-25(19,20)10-2-3-12(11(6-10)15(17)18)27(23,24)8-13(16)14-9-4-5-26(21,22)7-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16)