methyl 1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzyl)sulfonylisonipecotic acid methyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO4S/c1-20-14(17)12-6-8-16(9-7-12)21(18,19)10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3