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

Systemtic Name: methyl 4-(5-bromanyl-3-methylsulfonyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: methyl 4-[5-bromo-3-methylsulfonyl-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-bromo-3-methylsulfonyl-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-3-methylsulfonyl-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[5-bromo-2-keto-3-mesyl-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C20H27BrN4O5S MolecularWeight: 515.42118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN4O5S/c1-30-20(27)23-11-7-14(8-12-23)24-16-4-3-15(21)17(13-5-9-22-10-6-13)18(16)25(19(24)26)31(2,28)29/h3-4,13-14,22H,5-12H2,1-2H3