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

Systemtic Name: 1-butyl-4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-isonipecotic acid Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO5S/c1-2-3-14-24-15-12-22(13-16-24,21(25)26)30(27,28)20-10-8-19(9-11-20)29-18-6-4-17(23)5-7-18/h4-11H,2-3,12-16H2,1H3,(H,25,26)