[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4O4S/c1-4-23-15-8-7-12(28(25,26)22(2)3)10-14(15)21-16(23)11-27-18(24)13-6-5-9-20-17(13)19/h5-10H,4,11H2,1-3H3