methyl 4-methoxy-5-[[3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-3-carboxylate

Systemtic Name: methyl 4-methoxy-5-[[3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-3-carboxylate Openeye Name: methyl 5-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-4-methoxy-thiophene-3-carboxylate CAS Name: 5-[[3-[(hydroxyamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-4-methoxy-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-4-methoxythiophene-3-carboxylate Traditional Name: 5-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-4-methoxy-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

Isomeric SMILES

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

InChI

InChI=1S/C17H18N2O7S2/c1-25-14-12(16(21)26-2)9-27-17(14)28(23,24)19-8-11-6-4-3-5-10(11)7-13(19)15(20)18-22/h3-6,9,13,22H,7-8H2,1-2H3,(H,18,20)