1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-m-anisyl-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C21H25NO6S/c1-27-17-6-8-19(9-7-17)29(25,26)21(20(23)24)10-12-22(13-11-21)15-16-4-3-5-18(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,23,24)