(3R)-2-(5-methylthiophen-2-yl)sulfonyl-N,6,7-tris(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(5-methylthiophen-2-yl)sulfonyl-N,6,7-tris(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-6,7-dihydroxy-2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-N,6,7-trihydroxy-2-[(5-methyl-2-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N,6,7-trihydroxy-2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-6,7-dihydroxy-2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C15H16N2O6S2 MolecularWeight: 384.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)NO)O)O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)NO)O)O

InChI

InChI=1S/C15H16N2O6S2/c1-8-2-3-14(24-8)25(22,23)17-7-10-6-13(19)12(18)5-9(10)4-11(17)15(20)16-21/h2-3,5-6,11,18-19,21H,4,7H2,1H3,(H,16,20)/t11-/m1/s1