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

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H21N3O4S2/c1-12-9-15(13(2)19-12)16(21)11-25-17-4-3-14(10-18-17)26(22,23)20-5-7-24-8-6-20/h3-4,9-10,19H,5-8,11H2,1-2H3