sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one

Systemtic Name: sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one Openeye Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate; 1,5-dimethyl-2-phenyl-4-propan-2-yl-3-pyrazolone IUPAC Name: sodium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one Traditional Name: sodium; 4-isopropyl-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate Formula: C27H34N5NaO5S MolecularWeight: 563.64413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H18N2O.C13H17N3O4S.Na/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h5-10H,1-4H3;4-8H,9H2,1-3H3,(H,18,19,20);/q;;+1/p-1