(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C26H21NO7S MolecularWeight: 491.51244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C26H21NO7S/c28-21-7-10-23-20(13-25(29)34-24(23)14-21)16-33-26(30)18-5-8-22(9-6-18)35(31,32)27-12-11-17-3-1-2-4-19(17)15-27/h1-10,13-14,28H,11-12,15-16H2