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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)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)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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