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

Systemtic Name: (3R)-6,7-bis(oxidanyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H13NO6S2 MolecularWeight: 355.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H13NO6S2/c16-11-5-8-4-10(14(18)19)15(7-9(8)6-12(11)17)23(20,21)13-2-1-3-22-13/h1-3,5-6,10,16-17H,4,7H2,(H,18,19)/t10-/m1/s1