(2,4-dichlorophenyl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,4-dichlorophenyl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,4-dichlorophenyl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid (2,4-dichlorobenzyl) ester Formula: C21H21Cl2NO6S MolecularWeight: 486.36554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO6S/c1-29-21(26)17-4-2-3-5-19(17)31(27,28)24-10-8-14(9-11-24)20(25)30-13-15-6-7-16(22)12-18(15)23/h2-7,12,14H,8-11,13H2,1H3