N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methylidene]piperidin-1-yl]benzenecarboximidamide

Systemtic Name: N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methylidene]piperidin-1-yl]benzenecarboximidamide Openeye Name: N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methylene]-1-piperidyl]benzamidine CAS Name: N'-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methylidene]-1-piperidinyl]benzenecarboximidamide IUPAC Name: N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methylidene]piperidin-1-yl]benzenecarboximidamide Traditional Name: N'-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(2-phenylbenzylidene)piperidino]benzamidine Formula: C39H37N5O4S2 MolecularWeight: 703.87218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(=NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])N

Isomeric SMILES

C1CN(CCC1=CC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)/C(=N/S(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])/N

InChI

InChI=1S/C39H37N5O4S2/c40-39(42-50(47,48)35-19-20-37(38(28-35)44(45)46)41-23-26-49-34-12-5-2-6-13-34)31-15-17-33(18-16-31)43-24-21-29(22-25-43)27-32-11-7-8-14-36(32)30-9-3-1-4-10-30/h1-20,27-28,41H,21-26H2,(H2,40,42)