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

Systemtic Name: 3-fluoranyl-4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 3-fluoro-4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 3-fluoro-4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 3-fluoro-4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 3-fluoro-4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C27H21F2N3O5S2 MolecularWeight: 569.599546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C27H21F2N3O5S2/c28-20-9-6-18(7-10-20)23-12-8-19(16-24(23)29)27(33)31-39(36,37)22-11-13-25(26(17-22)32(34)35)30-14-15-38-21-4-2-1-3-5-21/h1-13,16-17,30H,14-15H2,(H,31,33)