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

Systemtic Name: (2-bromophenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-bromophenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (2-bromophenyl) ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC=C3Br)OC

InChI

InChI=1S/C20H22BrNO6S/c1-26-18-8-7-15(13-19(18)27-2)29(24,25)22-11-9-14(10-12-22)20(23)28-17-6-4-3-5-16(17)21/h3-8,13-14H,9-12H2,1-2H3