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

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C(=O)C(=O)O

InChI

InChI=1S/C24H18N2O6S/c27-22(24(28)29)20-13-16-5-1-2-6-17(16)14-26(20)33(30,31)18-11-9-15(10-12-18)23-25-19-7-3-4-8-21(19)32-23/h1-12,20H,13-14H2,(H,28,29)