(4-bromophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (4-bromobenzyl) ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO4S/c1-15-2-8-19(9-3-15)27(24,25)22-12-10-17(11-13-22)20(23)26-14-16-4-6-18(21)7-5-16/h2-9,17H,10-14H2,1H3