N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C12H16N2O6S2 MolecularWeight: 348.39524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCS(=O)(=O)C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCS(=O)(=O)C2

InChI

InChI=1S/C12H16N2O6S2/c1-9-2-3-11(14(15)16)6-12(9)22(19,20)13-7-10-4-5-21(17,18)8-10/h2-3,6,10,13H,4-5,7-8H2,1H3