methyl 4-chloranyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoate Openeye Name: methyl 4-chloro-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]benzoate CAS Name: 4-chloro-3-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoate Traditional Name: 4-chloro-3-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid methyl ester Formula: C17H18ClN3O8S2 MolecularWeight: 491.92312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O8S2/c1-29-17(22)11-3-5-13(18)16(9-11)31(27,28)20-8-7-19-14-6-4-12(30(2,25)26)10-15(14)21(23)24/h3-6,9-10,19-20H,7-8H2,1-2H3