N-[4-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-(tert-butylsulfamoyl)-2-nitro-anilino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[4-(tert-butylsulfamoyl)-2-nitroanilino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-(tert-butylsulfamoyl)-2-nitroanilino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[4-(tert-butylsulfamoyl)-2-nitro-anilino]phenyl]-3-methyl-butyramide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-14(2)12-20(26)23-16-8-6-15(7-9-16)22-18-11-10-17(13-19(18)25(27)28)31(29,30)24-21(3,4)5/h6-11,13-14,22,24H,12H2,1-5H3,(H,23,26)