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2-(4-phenylsulfanylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
2-(4-phenylsulfanylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)O
Isomeric SMILES
C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C22H19NO4S2/c24-22(25)21-14-16-6-4-5-7-17(16)15-23(21)29(26,27)20-12-10-19(11-13-20)28-18-8-2-1-3-9-18/h1-13,21H,14-15H2,(H,24,25)
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