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

Systemtic Name: ethyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-bromobenzyl)sulfonylisonipecotoyl]isonipecotic acid ethyl ester Formula: C21H29BrN2O5S MolecularWeight: 501.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O5S/c1-2-29-21(26)18-6-10-23(11-7-18)20(25)17-8-12-24(13-9-17)30(27,28)15-16-4-3-5-19(22)14-16/h3-5,14,17-18H,2,6-13,15H2,1H3