decanedioic acid; 1-[3-(4-methylsulfanylphenoxy)-1-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: decanedioic acid; 1-[3-(4-methylsulfanylphenoxy)-1-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: decanedioic acid; 1-[1-hydroxy-3-(4-methylsulfanylphenoxy)propyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: decanedioic acid; 1-[1-hydroxy-3-[4-(methylthio)phenoxy]propyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: decanedioic acid; 1-[1-hydroxy-3-(4-methylsulfanylphenoxy)propyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 1-[1-hydroxy-3-[4-(methylthio)phenoxy]propyl]-4-(3-pyridyl)piperidin-4-ol; sebacic acid Formula: C30H44N2O7S MolecularWeight: 576.74456

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C20H26N2O3S.C10H18O4/c1-26-18-6-4-17(5-7-18)25-14-8-19(23)22-12-9-20(24,10-13-22)16-3-2-11-21-15-16;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2-7,11,15,19,23-24H,8-10,12-14H2,1H3;1-8H2,(H,11,12)(H,13,14)