(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H22Cl2N4O4S MolecularWeight: 497.39478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O4S/c1-2-27-18-7-6-15(32(29,30)26-8-4-3-5-9-26)11-17(18)25-19(27)13-31-21(28)14-10-16(22)20(23)24-12-14/h6-7,10-12H,2-5,8-9,13H2,1H3