2-(4-methoxyphenyl)sulfonyl-N,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C(=O)NO)C=CC(=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C(=O)NO)C=CC(=C3)O

InChI

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