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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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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)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N2O3S2/c1-14-6-7-15(2)18(12-14)20(23)16(3)26-19-9-8-17(13-21-19)27(24,25)22-10-4-5-11-22/h6-9,12-13,16H,4-5,10-11H2,1-3H3