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

Systemtic Name: (3R)-N,6,7-tris(oxidanyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-6,7-dihydroxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-N,6,7-trihydroxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N,6,7-trihydroxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-6,7-dihydroxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C14H14N2O6S2 MolecularWeight: 370.40076

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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)NO

Isomeric SMILES

C1[C@@H](N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=CS3)C(=O)NO

InChI

InChI=1S/C14H14N2O6S2/c17-11-5-8-4-10(14(19)15-20)16(7-9(8)6-12(11)18)24(21,22)13-2-1-3-23-13/h1-3,5-6,10,17-18,20H,4,7H2,(H,15,19)/t10-/m1/s1