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

Systemtic Name: 2-[2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)C(=O)O

InChI

InChI=1S/C25H24N2O5S/c1-26(2)21-11-7-17(8-12-21)18-9-13-22(14-10-18)33(31,32)27-16-20-6-4-3-5-19(20)15-23(27)24(28)25(29)30/h3-14,23H,15-16H2,1-2H3,(H,29,30)