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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H20N4O5S MolecularWeight: 476.5044

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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=C5N=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H20N4O5S/c29-23-21-10-3-4-11-22(21)25-26-28(23)16-33-24(30)18-8-5-9-20(14-18)34(31,32)27-13-12-17-6-1-2-7-19(17)15-27/h1-11,14H,12-13,15-16H2