(3R)-N,6,7-tris(oxidanyl)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N,6,7-tris(oxidanyl)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-N,6,7-trihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N,6,7-trihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-6,7-dihydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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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)NO

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)NO

InChI

InChI=1S/C22H20N2O6S/c25-20-11-16-10-19(22(27)23-28)24(13-17(16)12-21(20)26)31(29,30)18-8-6-15(7-9-18)14-4-2-1-3-5-14/h1-9,11-12,19,25-26,28H,10,13H2,(H,23,27)/t19-/m1/s1