5-[2-[2-(5-phenylsulfanylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylsulfanylbenzene

Systemtic Name: 5-[2-[2-(5-phenylsulfanylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylsulfanylbenzene Openeye Name: 5-[2-[2-(5-phenylsulfanylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylsulfanylbenzene CAS Name: [5-[2-[2-[5-(phenylthio)pentylamino]ethylthio]sulfonyloxyethylamino]pentylthio]benzene IUPAC Name: 5-[2-[2-(5-phenylsulfanylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylsulfanylbenzene Traditional Name: [5-[2-[2-[5-(phenylthio)pentylamino]ethylthio]sulfonyloxyethylamino]pentylthio]benzene Formula: C26H40N2O3S4 MolecularWeight: 556.8674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCNCCOS(=O)(=O)SCCNCCCCCSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCNCCOS(=O)(=O)SCCNCCCCCSC2=CC=CC=C2

InChI

InChI=1S/C26H40N2O3S4/c29-35(30,31-21-19-27-17-9-3-11-22-32-25-13-5-1-6-14-25)34-24-20-28-18-10-4-12-23-33-26-15-7-2-8-16-26/h1-2,5-8,13-16,27-28H,3-4,9-12,17-24H2