8-[[3-(2,4-dichlorophenyl)carbonylphenyl]sulfonylamino]octanoic acid

Systemtic Name: 8-[[3-(2,4-dichlorophenyl)carbonylphenyl]sulfonylamino]octanoic acid Openeye Name: 8-[[3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]octanoic acid CAS Name: 8-[[3-[(2,4-dichlorophenyl)-oxomethyl]phenyl]sulfonylamino]octanoic acid IUPAC Name: 8-[[3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 8-[[3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]caprylic acid Formula: C21H23Cl2NO5S MolecularWeight: 472.38202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCCCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCCCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO5S/c22-16-10-11-18(19(23)14-16)21(27)15-7-6-8-17(13-15)30(28,29)24-12-5-3-1-2-4-9-20(25)26/h6-8,10-11,13-14,24H,1-5,9,12H2,(H,25,26)