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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(2-methoxyphenyl)sulfonyl-pipecolinic acid Formula: C20H21Cl2NO5S MolecularWeight: 458.35544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

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