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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCNC2=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=C1)SCCNC2=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/c1-19-3-2-4-24(17-19)38-16-15-30-26-14-13-25(18-27(26)32(34)35)39(36,37)31-28(33)22-7-5-20(6-8-22)21-9-11-23(29)12-10-21/h2-14,17-18,30H,15-16H2,1H3,(H,31,33)