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

Systemtic Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]thio]acetic acid methyl ester Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S2/c1-26-15(20)9-27-14-7-2-10(8-13(14)19(22)23)16(21)18-11-3-5-12(6-4-11)28(17,24)25/h2-8H,9H2,1H3,(H,18,21)(H2,17,24,25)