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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C20H22ClNO5S MolecularWeight: 423.91038

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-27-17-5-7-18(8-6-17)28(25,26)20(19(23)24)9-11-22(12-10-20)14-15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,23,24)