2-(4-methoxyphenyl)sulfonyl-7-nitro-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-7-nitro-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: N-hydroxy-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-hydroxy-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c1-27-14-4-6-15(7-5-14)28(25,26)19-10-12-8-13(20(23)24)3-2-11(12)9-16(19)17(21)18-22/h2-8,16,22H,9-10H2,1H3,(H,18,21)