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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C20H21Cl2NO5S MolecularWeight: 458.35544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO5S/c1-28-15-3-5-16(6-4-15)29(26,27)20(19(24)25)8-10-23(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,24,25)