2-[5-(dimethylamino)-2-phenyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[5-(dimethylamino)-2-phenyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[5-(dimethylamino)-2-phenyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[5-(dimethylamino)-2-phenylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[5-(dimethylamino)-2-phenylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[5-(dimethylamino)-2-phenyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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