(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=C(N=CC=C4)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=C(N=CC=C4)OCC

InChI

InChI=1S/C23H28N4O5S/c1-3-27-20-11-10-17(33(29,30)26-13-6-5-7-14-26)15-19(20)25-21(27)16-32-23(28)18-9-8-12-24-22(18)31-4-2/h8-12,15H,3-7,13-14,16H2,1-2H3