(3R)-6,7-bis(oxidanyl)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-6,7-bis(oxidanyl)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H19NO6S/c24-20-11-16-10-19(22(26)27)23(13-17(16)12-21(20)25)30(28,29)18-8-6-15(7-9-18)14-4-2-1-3-5-14/h1-9,11-12,19,24-25H,10,13H2,(H,26,27)/t19-/m1/s1