4-(4-fluorophenyl)-N-[3-nitro-4-(3-oxidanylpropoxy)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(3-oxidanylpropoxy)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitro-phenyl]sulfonyl-benzamide Formula: C22H19FN2O7S MolecularWeight: 474.458863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)OCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)OCCCO)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN2O7S/c23-18-8-6-16(7-9-18)15-2-4-17(5-3-15)22(27)24-33(30,31)19-10-11-21(32-13-1-12-26)20(14-19)25(28)29/h2-11,14,26H,1,12-13H2,(H,24,27)