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

Systemtic Name: methyl 4-[4-(5-bromanyl-3-methylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(5-bromo-3-methylsulfonyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(5-bromo-3-methylsulfonyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-bromo-3-methylsulfonyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(5-bromo-2-keto-3-mesyl-benzimidazol-1-yl)piperidino]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)N2CCC(CC2)N3C4=C(C=C(C=C4)Br)N(C3=O)S(=O)(=O)C

Isomeric SMILES

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

InChI

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