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

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-ethyl-piperidine-4-carboxylic acid Openeye Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine-4-carboxylic acid Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethyl-isonipecotic acid Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

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