1-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-phenyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-phenyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-phenyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O3S2/c1-15(19(22)16-8-4-2-5-9-16)25-18-11-10-17(14-20-18)26(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3