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

Systemtic Name: N-[4-[2-(2-bromophenyl)sulfanylethylamino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[2-(2-bromophenyl)sulfanylethylamino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[2-[(2-bromophenyl)thio]ethylamino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[2-(2-bromophenyl)sulfanylethylamino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[2-[(2-bromophenyl)thio]ethylamino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C27H21BrFN3O5S2 MolecularWeight: 630.505143

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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)[N+](=O)[O-])Br

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)[N+](=O)[O-])Br

InChI

InChI=1S/C27H21BrFN3O5S2/c28-23-3-1-2-4-26(23)38-16-15-30-24-14-13-22(17-25(24)32(34)35)39(36,37)31-27(33)20-7-5-18(6-8-20)19-9-11-21(29)12-10-19/h1-14,17,30H,15-16H2,(H,31,33)