(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-3-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic 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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

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