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

Systemtic Name: methyl 4-(5-methylsulfonyl-2-oxidanylidene-3-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: methyl 4-[5-methylsulfonyl-2-oxo-3-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-methylsulfonyl-2-oxo-3-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(5-methylsulfonyl-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-5-mesyl-3-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-29-20(26)22-11-7-15(8-12-22)23-17-4-3-16(30(2,27)28)13-18(17)24(19(23)25)14-5-9-21-10-6-14/h3-4,13-15,21H,5-12H2,1-2H3