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

Systemtic Name: 2-oxidanylidene-2-[2-[4-(phenylcarbonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C24H19NO6S MolecularWeight: 449.47576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO6S/c26-22(16-6-2-1-3-7-16)17-10-12-20(13-11-17)32(30,31)25-15-19-9-5-4-8-18(19)14-21(25)23(27)24(28)29/h1-13,21H,14-15H2,(H,28,29)