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

Systemtic Name: 4-[2-[4-[(4-hydroxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfonyl-phenol Openeye Name: 4-[1-hydroxy-2-[4-(4-hydroxy-N-methyl-anilino)butylamino]ethyl]-2-methylsulfonyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(4-hydroxy-N-methylanilino)butylamino]ethyl]-2-methylsulfonylphenol IUPAC Name: 4-[1-hydroxy-2-[4-(4-hydroxy-N-methylanilino)butylamino]ethyl]-2-methylsulfonylphenol Traditional Name: 4-[1-hydroxy-2-[4-(4-hydroxy-N-methyl-anilino)butylamino]ethyl]-2-mesyl-phenol Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-22(16-6-8-17(23)9-7-16)12-4-3-11-21-14-19(25)15-5-10-18(24)20(13-15)28(2,26)27/h5-10,13,19,21,23-25H,3-4,11-12,14H2,1-2H3