(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O4S/c1-2-26-18-8-7-16(31(28,29)25-10-4-3-5-11-25)12-17(18)24-20(26)14-30-21(27)15-6-9-19(22)23-13-15/h6-9,12-13H,2-5,10-11,14H2,1H3