N-[(2R,3R)-3-methyl-1,3-bis(oxidanyl)pent-4-yn-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R,3R)-3-methyl-1,3-bis(oxidanyl)pent-4-yn-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-methyl-but-3-ynyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R,3R)-1,3-dihydroxy-3-methylpent-4-yn-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R,3R)-1,3-dihydroxy-3-methylpent-4-yn-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-2-hydroxy-2-methyl-1-methylol-but-3-ynyl]-2-nitro-benzenesulfonamide Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(C(CO)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])O

Isomeric SMILES

C[C@@](C#C)([C@@H](CO)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])O

InChI

InChI=1S/C12H14N2O6S/c1-3-12(2,16)11(8-15)13-21(19,20)10-7-5-4-6-9(10)14(17)18/h1,4-7,11,13,15-16H,8H2,2H3/t11-,12-/m1/s1