5-tert-butyl-2-(3-morpholin-4-ylsulfonylphenyl)carbonyl-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-morpholin-4-ylsulfonylphenyl)carbonyl-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(3-morpholinosulfonylbenzoyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(3-morpholin-4-ylsulfonylbenzoyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(3-morpholinosulfonylbenzoyl)-2-pyrazolin-3-one Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)15-12-16(22)21(19-15)17(23)13-5-4-6-14(11-13)27(24,25)20-7-9-26-10-8-20/h4-6,11H,7-10,12H2,1-3H3