4-[2-[4-[(3-hydroxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol

Systemtic Name: 4-[2-[4-[(3-hydroxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol Openeye Name: 4-[1-hydroxy-2-[4-(3-hydroxy-N-methyl-anilino)butylamino]ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(3-hydroxy-N-methylanilino)butylamino]ethyl]-2-methylsulfinylphenol IUPAC Name: 4-[1-hydroxy-2-[4-(3-hydroxy-N-methylanilino)butylamino]ethyl]-2-methylsulfinylphenol Traditional Name: 4-[1-hydroxy-2-[4-(3-hydroxy-N-methyl-anilino)butylamino]ethyl]-2-methylsulfinyl-phenol Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)C)O)C2=CC(=CC=C2)O

Isomeric SMILES

CN(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)C)O)C2=CC(=CC=C2)O

InChI

InChI=1S/C20H28N2O4S/c1-22(16-6-5-7-17(23)13-16)11-4-3-10-21-14-19(25)15-8-9-18(24)20(12-15)27(2)26/h5-9,12-13,19,21,23-25H,3-4,10-11,14H2,1-2H3