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

Systemtic Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylethanoate Openeye Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylacetate Traditional Name: 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylacetic acid methyl ester Formula: C16H15N3O9S2 MolecularWeight: 457.435

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=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)CS(=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/C16H15N3O9S2/c1-28-15(20)9-29(24,25)14-7-2-10(8-13(14)19(22)23)16(21)18-11-3-5-12(6-4-11)30(17,26)27/h2-8H,9H2,1H3,(H,18,21)(H2,17,26,27)