N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(5-methyl-1,3-dioxan-2-yl)methyl]-2-nitro-benzenesulfonamide Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1COC(OC1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-9-7-19-12(20-8-9)6-13-21(17,18)11-5-3-2-4-10(11)14(15)16/h2-5,9,12-13H,6-8H2,1H3