4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[[4-(tert-butylsulfamoyl)-2-nitrophenyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[4-(tert-butylsulfamoyl)-2-nitrophenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O5S2/c1-15-8-6-9-16(2)21(15)23-20(26)10-7-13-31-19-12-11-17(14-18(19)25(27)28)32(29,30)24-22(3,4)5/h6,8-9,11-12,14,24H,7,10,13H2,1-5H3,(H,23,26)