N-[4-[[(4-fluoranyl-3-nitro-phenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonyl-3-nitro-benzamide

Systemtic Name: N-[4-[[(4-fluoranyl-3-nitro-phenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonyl-3-nitro-benzamide Openeye Name: N-[4-[[(4-fluoro-3-nitro-phenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonyl-3-nitro-benzamide CAS Name: N-[4-[[(4-fluoro-3-nitrophenyl)methyl-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonyl-3-nitrobenzamide IUPAC Name: N-[4-[[(4-fluoro-3-nitrophenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonyl-3-nitrobenzamide Traditional Name: N-[4-[[(4-fluoro-3-nitro-benzyl)-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonyl-3-nitro-benzamide Formula: C29H25FN4O7S2 MolecularWeight: 624.659803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN(CC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCN(CC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C29H25FN4O7S2/c30-27-14-11-22(17-28(27)34(38)39)20-32(15-16-42-25-7-2-1-3-8-25)19-21-9-12-26(13-10-21)43(40,41)31-29(35)23-5-4-6-24(18-23)33(36)37/h1-14,17-18H,15-16,19-20H2,(H,31,35)