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

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(3-phenylsulfanylpropoxy)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(3-phenylsulfanylpropoxy)phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[3-(phenylthio)propoxy]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(3-phenylsulfanylpropoxy)phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[3-(phenylthio)propoxy]phenyl]sulfonyl-benzamide Formula: C28H23FN2O6S2 MolecularWeight: 566.620423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCOC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCOC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C28H23FN2O6S2/c29-23-13-11-21(12-14-23)20-7-9-22(10-8-20)28(32)30-39(35,36)25-15-16-27(26(19-25)31(33)34)37-17-4-18-38-24-5-2-1-3-6-24/h1-3,5-16,19H,4,17-18H2,(H,30,32)