4-(4-fluorophenyl)-N-[4-[2-(2-methylphenyl)sulfanylethylamino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[2-(2-methylphenyl)sulfanylethylamino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(o-tolylsulfanyl)ethylamino]phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[2-[(2-methylphenyl)thio]ethylamino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[2-(2-methylphenyl)sulfanylethylamino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(o-tolylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H24FN3O5S2 MolecularWeight: 565.635663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCNC2=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

CC1=CC=CC=C1SCCNC2=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/c1-19-4-2-3-5-27(19)38-17-16-30-25-15-14-24(18-26(25)32(34)35)39(36,37)31-28(33)22-8-6-20(7-9-22)21-10-12-23(29)13-11-21/h2-15,18,30H,16-17H2,1H3,(H,31,33)