3,5-bis(chloranyl)-4-(4-methoxy-3-piperidin-1-ylsulfonyl-phenoxy)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-(4-methoxy-3-piperidin-1-ylsulfonyl-phenoxy)benzoic acid Openeye Name: 3,5-dichloro-4-[4-methoxy-3-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 3,5-dichloro-4-[4-methoxy-3-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 3,5-dichloro-4-(4-methoxy-3-piperidin-1-ylsulfonylphenoxy)benzoic acid Traditional Name: 3,5-dichloro-4-(4-methoxy-3-piperidinosulfonyl-phenoxy)benzoic acid Formula: C19H19Cl2NO6S MolecularWeight: 460.32826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)O)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)O)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H19Cl2NO6S/c1-27-16-6-5-13(11-17(16)29(25,26)22-7-3-2-4-8-22)28-18-14(20)9-12(19(23)24)10-15(18)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,23,24)