N-[4,5-dimethyl-1,1,3-tris(oxidanylidene)thiophen-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4,5-dimethyl-1,1,3-tris(oxidanylidene)thiophen-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(4,5-dimethyl-1,1,3-trioxo-2-thienyl)-3-nitro-benzenesulfonamide CAS Name: N-(4,5-dimethyl-1,1,3-trioxo-2-thiophenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4,5-dimethyl-1,1,3-trioxothiophen-2-yl)-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-(1,1,3-triketo-4,5-dimethyl-2-thienyl)benzenesulfonamide Formula: C12H12N2O7S2 MolecularWeight: 360.36288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7S2/c1-7-8(2)22(18,19)12(11(7)15)13-23(20,21)10-5-3-4-9(6-10)14(16)17/h3-6,12-13H,1-2H3