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

Systemtic Name: 2-methylsulfinyl-4-[2-[4-[(4-nitrophenyl)methoxy]butylamino]-1-oxidanyl-ethyl]phenol Openeye Name: 4-[1-hydroxy-2-[4-[(4-nitrophenyl)methoxy]butylamino]ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[1-hydroxy-2-[4-[(4-nitrophenyl)methoxy]butylamino]ethyl]-2-methylsulfinylphenol IUPAC Name: 4-[1-hydroxy-2-[4-[(4-nitrophenyl)methoxy]butylamino]ethyl]-2-methylsulfinylphenol Traditional Name: 4-[1-hydroxy-2-[4-(4-nitrobenzyl)oxybutylamino]ethyl]-2-methylsulfinyl-phenol Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCOCC2=CC=C(C=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCOCC2=CC=C(C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C20H26N2O6S/c1-29(27)20-12-16(6-9-18(20)23)19(24)13-21-10-2-3-11-28-14-15-4-7-17(8-5-15)22(25)26/h4-9,12,19,21,23-24H,2-3,10-11,13-14H2,1H3