N-[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxo-chromen-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxochromen-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-keto-chromen-6-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H20N2O7S/c28-23-19-11-17(27-35(30,31)18-4-1-14-7-8-26-12-16(14)9-18)3-6-20(19)34-25(24(23)29)15-2-5-21-22(10-15)33-13-32-21/h1-6,9-11,26-27,29H,7-8,12-13H2