4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H21N3O6S/c1-32-22-11-8-19(26(28)29)14-21(22)24-33(30,31)20-9-6-17(7-10-20)23(27)25-13-12-16-4-2-3-5-18(16)15-25/h2-11,14,24H,12-13,15H2,1H3