2-[2-[4-(4-chloranylphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[4-(4-chloranylphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C23H18ClNO6S MolecularWeight: 471.91012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)C(=O)O

InChI

InChI=1S/C23H18ClNO6S/c24-17-5-7-18(8-6-17)31-19-9-11-20(12-10-19)32(29,30)25-14-16-4-2-1-3-15(16)13-21(25)22(26)23(27)28/h1-12,21H,13-14H2,(H,27,28)