4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-p-anisyl-isonipecotic acid Formula: C26H26ClNO6S MolecularWeight: 516.00574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClNO6S/c1-33-21-6-2-19(3-7-21)18-28-16-14-26(15-17-28,25(29)30)35(31,32)24-12-10-23(11-13-24)34-22-8-4-20(27)5-9-22/h2-13H,14-18H2,1H3,(H,29,30)