[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid phthalimidomethyl ester Formula: C25H20N2O6S MolecularWeight: 476.5011

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H20N2O6S/c28-23-21-10-3-4-11-22(21)24(29)27(23)16-33-25(30)18-8-5-9-20(14-18)34(31,32)26-13-12-17-6-1-2-7-19(17)15-26/h1-11,14H,12-13,15-16H2