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

Systemtic Name: sodium [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methanesulfonate Openeye Name: sodium [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methanesulfonate CAS Name: sodium [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methanesulfonate IUPAC Name: sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate Traditional Name: sodium [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methanesulfonate Formula: C12H14N3NaO4S MolecularWeight: 319.31203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S.Na/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10;/h3-7,13H,8H2,1-2H3,(H,17,18,19);/q;+1/p-1