methyl 4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-sulfamoyl]benzoate

Systemtic Name: methyl 4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-sulfamoyl]benzoate Openeye Name: methyl 4-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-sulfamoyl]benzoate CAS Name: 4-[(4-chloro-3-nitrophenyl)sulfonyl-methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-nitrophenyl)sulfonyl-methylsulfamoyl]benzoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-sulfamoyl]benzoic acid methyl ester Formula: C15H13ClN2O8S2 MolecularWeight: 448.85532

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Descriptors Computed from Structure

Canonical SMILES:

CN(S(=O)(=O)C1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(S(=O)(=O)C1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O8S2/c1-17(27(22,23)11-5-3-10(4-6-11)15(19)26-2)28(24,25)12-7-8-13(16)14(9-12)18(20)21/h3-9H,1-2H3