methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoate Openeye Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoate CAS Name: 3-[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoate Traditional Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropionic acid methyl ester Formula: C17H17N3O9S2 MolecularWeight: 471.46158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O9S2/c1-29-16(21)8-9-30(25,26)15-7-2-11(10-14(15)20(23)24)17(22)19-12-3-5-13(6-4-12)31(18,27)28/h2-7,10H,8-9H2,1H3,(H,19,22)(H2,18,27,28)