4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyl-N-oxidanyl-oxane-4-carboxamide

Systemtic Name: 4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyl-N-oxidanyl-oxane-4-carboxamide Openeye Name: 4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyltetrahydropyran-4-carbohydroxamic acid CAS Name: 4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyl-N-hydroxy-4-oxanecarboxamide IUPAC Name: 4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide Traditional Name: 4-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]phenyl]sulfonyltetrahydropyran-4-carbohydroxamic acid Formula: C27H36N2O8S MolecularWeight: 548.64834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCOC3=CC=C(C=C3)S(=O)(=O)C4(CCOCC4)C(=O)NO)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCOC3=CC=C(C=C3)S(=O)(=O)C4(CCOCC4)C(=O)NO)OC

InChI

InChI=1S/C27H36N2O8S/c1-34-24-17-20-9-13-29(19-21(20)18-25(24)35-2)12-3-4-14-37-22-5-7-23(8-6-22)38(32,33)27(26(30)28-31)10-15-36-16-11-27/h5-8,17-18,31H,3-4,9-16,19H2,1-2H3,(H,28,30)