N-[4-(2,2-dimethylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-(2,2-dimethylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-(2,2-dimethylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-(2,2-dimethylpropylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-(2,2-dimethylpropylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-(neopentylamino)-3-nitro-phenyl]sulfonyl-benzamide Formula: C24H24FN3O5S MolecularWeight: 485.527863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C24H24FN3O5S/c1-24(2,3)15-26-21-13-12-20(14-22(21)28(30)31)34(32,33)27-23(29)18-6-4-16(5-7-18)17-8-10-19(25)11-9-17/h4-14,26H,15H2,1-3H3,(H,27,29)