(2-methoxy-5-methyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO6S/c1-16-4-9-21(28-3)18(14-16)15-29-22(24)17-10-12-23(13-11-17)30(25,26)20-7-5-19(27-2)6-8-20/h4-9,14,17H,10-13,15H2,1-3H3