(phenylmethyl) 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1-carboxylate Openeye Name: benzyl 4-[[4-(5-bromo-2-pyridyl)-1-piperidyl]sulfonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperidinyl]sulfonyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(5-bromopyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1-carboxylate Traditional Name: 4-[4-(5-bromo-2-pyridyl)piperidino]sulfonylpiperidine-1-carboxylic acid benzyl ester Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=C(C=C2)Br)S(=O)(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC=C(C=C2)Br)S(=O)(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28BrN3O4S/c24-20-6-7-22(25-16-20)19-8-14-27(15-9-19)32(29,30)21-10-12-26(13-11-21)23(28)31-17-18-4-2-1-3-5-18/h1-7,16,19,21H,8-15,17H2