[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C20H21N3O9S MolecularWeight: 479.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H21N3O9S/c1-12-4-5-13(8-18(12)33(28,29)22(2)3)21-19(24)11-32-20(25)14-9-16-17(31-7-6-30-16)10-15(14)23(26)27/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,24)