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

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzenesulfonamide Formula: C20H17N3O6S MolecularWeight: 427.43048

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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=CO4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C20H17N3O6S/c24-20(18-5-3-11-29-18)22-10-9-14-7-8-16(12-15(14)13-22)21-30(27,28)19-6-2-1-4-17(19)23(25)26/h1-8,11-12,21H,9-10,13H2