[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N5O9S MolecularWeight: 483.45244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O9S/c1-22(2)14-6-5-13(8-15(14)23(27)28)33(29,30)20-10-17(25)32-11-16(24)21-18(26)19-9-12-4-3-7-31-12/h3-8,20H,9-11H2,1-2H3,(H2,19,21,24,26)