[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C20H26N4O8S MolecularWeight: 482.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O8S/c1-3-5-14(2)23-19(25)13-32-20(26)12-22-33(29,30)16-7-8-17(18(10-16)24(27)28)21-11-15-6-4-9-31-15/h4,6-10,14,21-22H,3,5,11-13H2,1-2H3,(H,23,25)