quinolin-8-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: quinolin-8-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 8-quinolylmethyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 8-quinolylmethyl ester Formula: C23H20N4O7S MolecularWeight: 496.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C23H20N4O7S/c28-22(34-15-17-5-1-4-16-6-2-10-24-23(16)17)14-26-35(31,32)19-8-9-20(21(12-19)27(29)30)25-13-18-7-3-11-33-18/h1-12,25-26H,13-15H2