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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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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(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6S/c26-21-10-9-19(13-20(21)25(28)29)32(30,31)23-18-7-5-16(6-8-18)22(27)24-12-11-15-3-1-2-4-17(15)14-24/h1-10,13,23,26H,11-12,14H2