4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonyl-4-methoxycarbonyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonyl-4-methoxycarbonyl-piperidine-1-carboxylic acid Openeye Name: 4-[[4-(5-bromo-2-pyridyl)-1-piperidyl]sulfonyl]-4-methoxycarbonyl-piperidine-1-carboxylic acid CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperidinyl]sulfonyl]-4-methoxycarbonyl-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(5-bromopyridin-2-yl)piperidin-1-yl]sulfonyl-4-methoxycarbonylpiperidine-1-carboxylic acid Traditional Name: 4-[4-(5-bromo-2-pyridyl)piperidino]sulfonyl-4-carbomethoxy-piperidine-1-carboxylic acid Formula: C18H24BrN3O6S MolecularWeight: 490.36866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C18H24BrN3O6S/c1-28-16(23)18(6-10-21(11-7-18)17(24)25)29(26,27)22-8-4-13(5-9-22)15-3-2-14(19)12-20-15/h2-3,12-13H,4-11H2,1H3,(H,24,25)