[5-[4-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]butylcarbamoyl]pyridin-2-yl]-[(E)-(2-oxidanidylperoxysulfanylphenyl)methylideneamino]azanium

Systemtic Name: [5-[4-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]butylcarbamoyl]pyridin-2-yl]-[(E)-(2-oxidanidylperoxysulfanylphenyl)methylideneamino]azanium Openeye Name: [5-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]butylcarbamoyl]-2-pyridyl]-[(E)-(2-oxidoperoxysulfanylphenyl)methyleneamino]ammonium CAS Name: [5-[[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butylamino]-oxomethyl]-2-pyridinyl]-[(E)-[2-(oxidodioxythio)phenyl]methylideneamino]ammonium IUPAC Name: [5-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butylcarbamoyl]pyridin-2-yl]-[(E)-(2-oxidoperoxysulfanylphenyl)methylideneamino]azanium Traditional Name: [5-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]butylcarbamoyl]-2-pyridyl]-[(E)-[2-(oxidoperoxythio)benzylidene]amino]ammonium Formula: C31H31FN4O6S MolecularWeight: 606.664443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCNC(=O)C3=CN=C(C=C3)[NH2+]N=CC4=CC=CC=C4SOO[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCNC(=O)C3=CN=C(C=C3)[NH2+]/N=C/C4=CC=CC=C4SOO[O-]

InChI

InChI=1S/C31H31FN4O6S/c1-2-21-17-26(22-9-12-25(32)13-10-22)27(37)18-28(21)40-16-6-5-15-33-31(38)24-11-14-30(34-19-24)36-35-20-23-7-3-4-8-29(23)43-42-41-39/h3-4,7-14,17-20,37,39H,2,5-6,15-16H2,1H3,(H,33,38)(H,34,36)/b35-20+