1-butyl-4-(4-chloranylphenoxy)-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 1-butyl-4-(4-chloranylphenoxy)-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-butyl-4-(4-chlorophenoxy)piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-1-butyl-4-(4-chlorophenoxy)-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-butyl-4-(4-chlorophenoxy)piperidine-4-carboxylic acid Traditional Name: 2-besyl-1-butyl-4-(4-chlorophenoxy)isonipecotic acid Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OC3=CC=C(C=C3)Cl

InChI

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