[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-(2-nitrophenyl)ethanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-(2-nitrophenyl)ethanoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-4-23-18-10-9-15(31(28,29)22(2)3)12-16(18)21-19(23)13-30-20(25)11-14-7-5-6-8-17(14)24(26)27/h5-10,12H,4,11,13H2,1-3H3