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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O8S/c1-14(2)7-8-21-19(25)13-32-20(26)12-23-33(29,30)16-5-6-17(18(10-16)24(27)28)22-11-15-4-3-9-31-15/h3-6,9-10,14,22-23H,7-8,11-13H2,1-2H3,(H,21,25)