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

Systemtic Name: 2-oxidanylidene-2-[2-(4-phenylsulfanylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-oxo-2-[2-(4-phenylsulfanylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-oxo-2-[2-[4-(phenylthio)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-oxo-2-[2-(4-phenylsulfanylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-keto-2-[2-[4-(phenylthio)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C23H19NO5S2 MolecularWeight: 453.53066

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)C(=O)O

InChI

InChI=1S/C23H19NO5S2/c25-22(23(26)27)21-14-16-6-4-5-7-17(16)15-24(21)31(28,29)20-12-10-19(11-13-20)30-18-8-2-1-3-9-18/h1-13,21H,14-15H2,(H,26,27)