2-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-thiane-3,4,5-triol

Systemtic Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-thiane-3,4,5-triol Openeye Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-(4-ethyl-1-piperazinyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxythiane-3,4,5-triol IUPAC Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxythiane-3,4,5-triol Traditional Name: 2-[4-(4-ethylpiperazino)benzyl]-6-methylol-2-phenoxy-tetrahydrothiopyran-3,4,5-triol Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)CC3(C(C(C(C(S3)CO)O)O)O)OC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)CC3(C(C(C(C(S3)CO)O)O)O)OC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O5S/c1-2-26-12-14-27(15-13-26)19-10-8-18(9-11-19)16-25(32-20-6-4-3-5-7-20)24(31)23(30)22(29)21(17-28)33-25/h3-11,21-24,28-31H,2,12-17H2,1H3