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

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(4-nitrophenyl)sulfanylethylamino]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(4-nitrophenyl)sulfanylethylamino]phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-[(4-nitrophenyl)thio]ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(4-nitrophenyl)sulfanylethylamino]phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-[(4-nitrophenyl)thio]ethylamino]phenyl]sulfonyl-benzamide Formula: C27H21FN4O7S2 MolecularWeight: 596.606643

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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)NCCSC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H21FN4O7S2/c28-21-7-5-19(6-8-21)18-1-3-20(4-2-18)27(33)30-41(38,39)24-13-14-25(26(17-24)32(36)37)29-15-16-40-23-11-9-22(10-12-23)31(34)35/h1-14,17,29H,15-16H2,(H,30,33)