4-(2-methyl-4-methylsulfonyl-3-morpholin-4-yl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-(2-methyl-4-methylsulfonyl-3-morpholin-4-yl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-isopropyl-4-(2-methyl-4-methylsulfonyl-3-morpholino-benzoyl)-1H-pyrazol-3-one CAS Name: 4-[[2-methyl-4-methylsulfonyl-3-(4-morpholinyl)phenyl]-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(2-methyl-4-methylsulfonyl-3-morpholin-4-ylbenzoyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-4-(4-mesyl-2-methyl-3-morpholino-benzoyl)-3-pyrazolin-3-one Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N2CCOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1N2CCOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)C

InChI

InChI=1S/C19H25N3O5S/c1-12(2)22-19(24)15(11-20-22)18(23)14-5-6-16(28(4,25)26)17(13(14)3)21-7-9-27-10-8-21/h5-6,11-12,20H,7-10H2,1-4H3