[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H23N3O9S MolecularWeight: 493.48702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H23N3O9S/c1-31-19-11-15(24(27)28)6-9-18(19)23-20(25)13-33-21(26)14-4-7-17(8-5-14)34(29,30)22-12-16-3-2-10-32-16/h4-9,11,16,22H,2-3,10,12-13H2,1H3,(H,23,25)