methyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-bromobenzyl)sulfonylisonipecotoyl]isonipecotic acid methyl ester Formula: C20H27BrN2O5S MolecularWeight: 487.40778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H27BrN2O5S/c1-28-20(25)17-5-9-22(10-6-17)19(24)16-7-11-23(12-8-16)29(26,27)14-15-3-2-4-18(21)13-15/h2-4,13,16-17H,5-12,14H2,1H3