N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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