7-methoxy-N,6-bis(oxidanyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

Systemtic Name: 7-methoxy-N,6-bis(oxidanyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-(benzenesulfonyl)-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carbohydroxamic acid CAS Name: 2-(benzenesulfonyl)-N,6-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N,6-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-besyl-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carbohydroxamic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(C2=C1)C(=O)NO)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C2CCN(C(C2=C1)C(=O)NO)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)