2-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[[5-(2-methylsulfanylpyrimidin-4-yl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: N-hydroxy-2-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-hydroxy-2-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[[5-[2-(methylthio)pyrimidin-4-yl]-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C19H18N4O4S3 MolecularWeight: 462.56562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NO

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NO

InChI

InChI=1S/C19H18N4O4S3/c1-28-19-20-9-8-14(21-19)16-6-7-17(29-16)30(26,27)23-11-13-5-3-2-4-12(13)10-15(23)18(24)22-25/h2-9,15,25H,10-11H2,1H3,(H,22,24)