2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H22ClNO6S MolecularWeight: 487.95258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H22ClNO6S/c1-31-22-12-17-11-21(24(27)28)26(14-18(17)13-23(22)32-2)33(29,30)20-9-5-16(6-10-20)15-3-7-19(25)8-4-15/h3-10,12-13,21H,11,14H2,1-2H3,(H,27,28)