(3R)-N,6,7-tris(oxidanyl)-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N,6,7-tris(oxidanyl)-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-N,6,7-trihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N,6,7-trihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-6,7-dihydroxy-2-(4-propoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)NO)O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)NO)O)O

InChI

InChI=1S/C19H22N2O7S/c1-2-7-28-14-3-5-15(6-4-14)29(26,27)21-11-13-10-18(23)17(22)9-12(13)8-16(21)19(24)20-25/h3-6,9-10,16,22-23,25H,2,7-8,11H2,1H3,(H,20,24)/t16-/m1/s1