N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2

InChI

InChI=1S/C21H19N3O6S/c1-14-4-7-18(24(26)27)12-20(14)31(28,29)22-17-6-5-15-8-9-23(13-16(15)11-17)21(25)19-3-2-10-30-19/h2-7,10-12,22H,8-9,13H2,1H3