N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H21N3O6S2/c1-14-4-6-18(12-16(14)3)23-31(27,28)20-10-7-17(8-11-20)22-32(29,30)21-13-19(24(25)26)9-5-15(21)2/h4-13,22-23H,1-3H3