2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c1-25(2)21-11-7-17(8-12-21)18-9-13-22(14-10-18)31(29,30)26-16-20-6-4-3-5-19(20)15-23(26)24(27)28/h3-14,23H,15-16H2,1-2H3,(H,27,28)