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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic 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=C(C=CC(=N4)Cl)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=C(C=CC(=N4)Cl)Cl

InChI

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