2,3-dimethyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzenesulfonamide Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6S2/c1-9-4-5-12(7-14(9)25(16,21)22)17-26(23,24)15-8-13(18(19)20)6-10(2)11(15)3/h4-8,17H,1-3H3,(H2,16,21,22)