1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-m-anisyl-4-(4-methoxyphenyl)sulfonyl-pipecolinic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC(=CC=C3)OC

InChI

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