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

Systemtic Name: (3R)-2-(4-methoxyphenyl)sulfonyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)O)O)O

InChI

InChI=1S/C17H17NO7S/c1-25-12-2-4-13(5-3-12)26(23,24)18-9-11-8-16(20)15(19)7-10(11)6-14(18)17(21)22/h2-5,7-8,14,19-20H,6,9H2,1H3,(H,21,22)/t14-/m1/s1