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

Systemtic Name: (3R)-6,7-bis(oxidanyl)-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)O)O)O

InChI

InChI=1S/C19H21NO7S/c1-2-7-27-14-3-5-15(6-4-14)28(25,26)20-11-13-10-18(22)17(21)9-12(13)8-16(20)19(23)24/h3-6,9-10,16,21-22H,2,7-8,11H2,1H3,(H,23,24)/t16-/m1/s1