1-(4-oxidanylpiperidin-1-yl)-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone

Systemtic Name: 1-(4-oxidanylpiperidin-1-yl)-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone Openeye Name: 1-(4-hydroxy-1-piperidyl)-2-[[3-(3-thienyl)phenyl]methylsulfinyl]ethanone CAS Name: 1-(4-hydroxy-1-piperidinyl)-2-[[3-(3-thiophenyl)phenyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone Traditional Name: 1-(4-hydroxypiperidino)-2-[3-(3-thienyl)benzyl]sulfinyl-ethanone Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3

Isomeric SMILES

C1CN(CCC1O)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C18H21NO3S2/c20-17-4-7-19(8-5-17)18(21)13-24(22)12-14-2-1-3-15(10-14)16-6-9-23-11-16/h1-3,6,9-11,17,20H,4-5,7-8,12-13H2