[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)C

InChI

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