1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H25N3O4S2/c1-4-22-14(2)11-17(15(22)3)18(23)13-27-19-6-5-16(12-20-19)28(24,25)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10,13H2,1-3H3