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

Systemtic Name: 4-(4-fluorophenyl)-3-methyl-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-3-methyl-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-3-methyl-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-3-methyl-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-3-methyl-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H24FN3O5S2 MolecularWeight: 565.635663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C28H24FN3O5S2/c1-19-17-21(9-13-25(19)20-7-10-22(29)11-8-20)28(33)31-39(36,37)24-12-14-26(27(18-24)32(34)35)30-15-16-38-23-5-3-2-4-6-23/h2-14,17-18,30H,15-16H2,1H3,(H,31,33)