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

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-ethanamide Openeye Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-acetamide CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetamide IUPAC Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetamide Traditional Name: N-[(3R)-1,1-diketothiolan-3-yl]-2-[(4-mesyl-2-nitro-phenyl)thio]acetamide Formula: C13H16N2O7S3 MolecularWeight: 408.47034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)N[C@@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S3/c1-24(19,20)10-2-3-12(11(6-10)15(17)18)23-7-13(16)14-9-4-5-25(21,22)8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16)/t9-/m1/s1