(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-3-25-19-7-6-17(31(27,28)24-8-10-29-11-9-24)12-18(19)23-20(25)14-30-21(26)16-5-4-15(2)22-13-16/h4-7,12-13H,3,8-11,14H2,1-2H3