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

Systemtic Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-7-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-7-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-7-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-7-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C[C@@H]2C(=O)O)C=CC(=C3)O

InChI

InChI=1S/C17H17NO6S/c1-24-14-4-6-15(7-5-14)25(22,23)18-10-12-8-13(19)3-2-11(12)9-16(18)17(20)21/h2-8,16,19H,9-10H2,1H3,(H,20,21)/t16-/m1/s1