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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CN=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CN=C(C=C4)C

InChI

InChI=1S/C22H26N4O5S/c1-3-8-26-20-7-6-18(32(28,29)25-9-11-30-12-10-25)13-19(20)24-21(26)15-31-22(27)17-5-4-16(2)23-14-17/h4-7,13-14H,3,8-12,15H2,1-2H3