2-methylsulfinyl-4-[1-oxidanyl-2-[4-(phenylmethylsulfanyl)butylamino]ethyl]phenol

Systemtic Name: 2-methylsulfinyl-4-[1-oxidanyl-2-[4-(phenylmethylsulfanyl)butylamino]ethyl]phenol Openeye Name: 4-[2-(4-benzylsulfanylbutylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(phenylmethylthio)butylamino]ethyl]-2-methylsulfinylphenol IUPAC Name: 4-[2-(4-benzylsulfanylbutylamino)-1-hydroxyethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-[4-(benzylthio)butylamino]-1-hydroxy-ethyl]-2-methylsulfinyl-phenol Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCSCC2=CC=CC=C2)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCSCC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H27NO3S2/c1-26(24)20-13-17(9-10-18(20)22)19(23)14-21-11-5-6-12-25-15-16-7-3-2-4-8-16/h2-4,7-10,13,19,21-23H,5-6,11-12,14-15H2,1H3