O1-methyl O4-(phenylmethyl) 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-(phenylmethyl) 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-methyl 4-[[4-(5-bromo-2-pyridyl)-1-piperidyl]sulfonyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperidinyl]sulfonyl]piperidine-1,4-dicarboxylic acid O1-methyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-methyl 4-[4-(5-bromopyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-[4-(5-bromo-2-pyridyl)piperidino]sulfonylpiperidine-1,4-dicarboxylic acid O4-benzyl ester O1-methyl ester Formula: C25H30BrN3O6S MolecularWeight: 580.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC=C(C=C4)Br

Isomeric SMILES

COC(=O)N1CCC(CC1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C25H30BrN3O6S/c1-34-24(31)28-15-11-25(12-16-28,23(30)35-18-19-5-3-2-4-6-19)36(32,33)29-13-9-20(10-14-29)22-8-7-21(26)17-27-22/h2-8,17,20H,9-16,18H2,1H3