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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-4-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C21H23ClN4O5S/c1-2-7-26-18-4-3-16(32(28,29)25-8-10-30-11-9-25)13-17(18)24-20(26)14-31-21(27)15-5-6-23-19(22)12-15/h3-6,12-13H,2,7-11,14H2,1H3