(3-bromophenyl)methyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-bromophenyl)methyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (3-bromobenzyl) ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H24BrNO6S/c1-27-19-7-6-18(13-20(19)28-2)30(25,26)23-10-8-16(9-11-23)21(24)29-14-15-4-3-5-17(22)12-15/h3-7,12-13,16H,8-11,14H2,1-2H3