methyl 4-[4-(3-methylsulfonyl-5-oxidanyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[4-(3-methylsulfonyl-5-oxidanyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate hydrochloride Openeye Name: methyl 4-[4-(5-hydroxy-3-methylsulfonyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate hydrochloride CAS Name: 4-[4-(5-hydroxy-3-methylsulfonyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-(5-hydroxy-3-methylsulfonyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate hydrochloride Traditional Name: 4-[4-(5-hydroxy-2-keto-3-mesyl-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid methyl ester hydrochloride Formula: C20H29ClN4O6S MolecularWeight: 488.98546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)O)N(C3=O)S(=O)(=O)C.Cl

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)O)N(C3=O)S(=O)(=O)C.Cl

InChI

InChI=1S/C20H28N4O6S.ClH/c1-30-20(27)22-11-5-14(6-12-22)21-9-7-15(8-10-21)23-17-4-3-16(25)13-18(17)24(19(23)26)31(2,28)29;/h3-4,13-15,25H,5-12H2,1-2H3;1H