(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,6-bis(chloranyl)pyridine-2-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H20Cl2N4O5S MolecularWeight: 499.3676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CC(=N4)Cl)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CC(=N4)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O5S/c1-2-26-16-5-3-13(32(28,29)25-7-9-30-10-8-25)11-15(16)23-18(26)12-31-20(27)19-14(21)4-6-17(22)24-19/h3-6,11H,2,7-10,12H2,1H3