[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H23N3O8S/c1-14(20(25)23-16-4-2-5-17(12-16)24(27)28)32-21(26)15-7-9-19(10-8-15)33(29,30)22-13-18-6-3-11-31-18/h2,4-5,7-10,12,14,18,22H,3,6,11,13H2,1H3,(H,23,25)