2-methyl-5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid CAS Name: 2-methyl-5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid Traditional Name: 5-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]-2-methyl-benzoic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H19N3O8S2/c1-11-3-4-13(9-14(11)17(21)22)30(27,28)19-8-7-18-15-6-5-12(29(2,25)26)10-16(15)20(23)24/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,21,22)