(2-nitrophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-nitrophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-nitrophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-nitrobenzyl) ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c26-23(31-16-20-8-3-4-11-22(20)25(27)28)18-9-5-10-21(14-18)32(29,30)24-13-12-17-6-1-2-7-19(17)15-24/h1-11,14H,12-13,15-16H2