4-(5-chloranyl-2-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 4-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-1-tosyl-isonipecotic acid Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=C(C=CC(=C3)Cl)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=C(C=CC(=C3)Cl)OC)C(=O)O

InChI

InChI=1S/C20H22ClNO5S/c1-14-3-6-16(7-4-14)28(25,26)22-11-9-20(10-12-22,19(23)24)17-13-15(21)5-8-18(17)27-2/h3-8,13H,9-12H2,1-2H3,(H,23,24)