4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylmethylsulfanyl)ethylamino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylmethylsulfanyl)ethylamino]phenyl]sulfonyl-benzamide Openeye Name: N-[4-(2-benzylsulfanylethylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylmethylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-(2-benzylsulfanylethylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[2-(benzylthio)ethylamino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C28H24FN3O5S2 MolecularWeight: 565.635663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC2=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)CSCCNC2=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/C28H24FN3O5S2/c29-24-12-10-22(11-13-24)21-6-8-23(9-7-21)28(33)31-39(36,37)25-14-15-26(27(18-25)32(34)35)30-16-17-38-19-20-4-2-1-3-5-20/h1-15,18,30H,16-17,19H2,(H,31,33)