1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H24N4O4S2/c1-16-13-20(21(27)15-31-22-23-7-4-8-24-22)17(2)26(16)18-5-3-6-19(14-18)32(28,29)25-9-11-30-12-10-25/h3-8,13-14H,9-12,15H2,1-2H3