3-nitro-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzenesulfonamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5S/c26-22(17-5-2-1-3-6-17)24-12-11-16-9-10-19(13-18(16)15-24)23-31(29,30)21-8-4-7-20(14-21)25(27)28/h1-10,13-14,23H,11-12,15H2