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

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethoxy)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethoxy)phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)ethoxy]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethoxy)phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)ethoxy]phenyl]sulfonyl-benzamide Formula: C27H21FN2O6S2 MolecularWeight: 552.593843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=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)SCCOC2=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/C27H21FN2O6S2/c28-22-12-10-20(11-13-22)19-6-8-21(9-7-19)27(31)29-38(34,35)24-14-15-26(25(18-24)30(32)33)36-16-17-37-23-4-2-1-3-5-23/h1-15,18H,16-17H2,(H,29,31)