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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O)OC

InChI

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