(4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C22H26ClNO6S/c1-15-12-20(28-2)21(29-3)13-17(15)14-30-22(25)16-8-10-24(11-9-16)31(26,27)19-6-4-18(23)5-7-19/h4-7,12-13,16H,8-11,14H2,1-3H3