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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-15-7-8-16(2)19(13-15)21(24)17(3)27-20-10-9-18(14-22-20)28(25,26)23-11-5-4-6-12-23/h7-10,13-14,17H,4-6,11-12H2,1-3H3