(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-4-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-4-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5S/c1-2-25-17-4-3-15(31(27,28)24-7-9-29-10-8-24)12-16(17)23-19(25)13-30-20(26)14-5-6-22-18(21)11-14/h3-6,11-12H,2,7-10,13H2,1H3