5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)carbonyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)carbonyl-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-(4-morpholinosulfonylbenzoyl)-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-(4-morpholin-4-ylsulfonylbenzoyl)-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-4-(4-morpholinosulfonylbenzoyl)-2-phenyl-pyrazol-3-olate Formula: C21H20N3O5S- MolecularWeight: 426.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c1-15-19(21(26)24(22-15)17-5-3-2-4-6-17)20(25)16-7-9-18(10-8-16)30(27,28)23-11-13-29-14-12-23/h2-10,26H,11-14H2,1H3/p-1