[3-(ethoxycarbonylamino)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C17H19N3O9S2 MolecularWeight: 473.47746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O9S2/c1-4-28-17(21)18-12-6-5-7-13(10-12)29-31(26,27)16-9-8-14(11-15(16)20(22)23)30(24,25)19(2)3/h5-11H,4H2,1-3H3,(H,18,21)