methyl 4-(3-methylsulfonyl-6-oxidanyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate hydrochloride

Systemtic Name: methyl 4-(3-methylsulfonyl-6-oxidanyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate hydrochloride Openeye Name: methyl 4-[6-hydroxy-3-methylsulfonyl-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate hydrochloride CAS Name: 4-[6-hydroxy-3-methylsulfonyl-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-(6-hydroxy-3-methylsulfonyl-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl)piperidine-1-carboxylate hydrochloride Traditional Name: 4-[6-hydroxy-2-keto-3-mesyl-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid methyl ester hydrochloride Formula: C20H29ClN4O6S MolecularWeight: 488.98546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2C3=C(C(=CC(=C3)O)C4CCNCC4)N(C2=O)S(=O)(=O)C.Cl

Isomeric SMILES

COC(=O)N1CCC(CC1)N2C3=C(C(=CC(=C3)O)C4CCNCC4)N(C2=O)S(=O)(=O)C.Cl

InChI

InChI=1S/C20H28N4O6S.ClH/c1-30-20(27)22-9-5-14(6-10-22)23-17-12-15(25)11-16(13-3-7-21-8-4-13)18(17)24(19(23)26)31(2,28)29;/h11-14,21,25H,3-10H2,1-2H3;1H