[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O8S/c1-14-8-9-19(34(30,31)23-13-18-7-4-10-32-18)12-20(14)22(27)33-15(2)21(26)24-16-5-3-6-17(11-16)25(28)29/h3-12,15,23H,13H2,1-2H3,(H,24,26)