N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(2-furylmethylamino)-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(2-furanylmethylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(furan-2-ylmethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(2-furfurylamino)-3-nitro-benzenesulfonamide Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c27-22(25-10-9-16-4-1-2-5-17(16)15-25)14-24-33(30,31)19-7-8-20(21(12-19)26(28)29)23-13-18-6-3-11-32-18/h1-8,11-12,23-24H,9-10,13-15H2