1-(3,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C19H22N2O5S2/c1-25-17-7-5-14(11-18(17)26-2)16(22)13-27-19-8-6-15(12-20-19)28(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10,13H2,1-2H3