1-[4-methoxy-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]phenyl]ethanone Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N2O4S2/c1-15(23)16-6-8-19(26-2)17(12-16)14-27-20-9-7-18(13-21-20)28(24,25)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3