5-[[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]amino]methyl]thiophene-2-sulfonamide

Systemtic Name: 5-[[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]amino]methyl]thiophene-2-sulfonamide Openeye Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-anilino]methyl]thiophene-2-sulfonamide CAS Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitroanilino]methyl]-2-thiophenesulfonamide IUPAC Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitroanilino]methyl]thiophene-2-sulfonamide Traditional Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-anilino]methyl]thiophene-2-sulfonamide Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(S3)S(=O)(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(S3)S(=O)(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O6S3/c1-12-3-6-16(13(2)9-12)22-32(28,29)15-5-7-17(18(10-15)23(24)25)21-11-14-4-8-19(30-14)31(20,26)27/h3-10,21-22H,11H2,1-2H3,(H2,20,26,27)