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

Systemtic Name: sodium [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonate Openeye Name: sodium [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-isobutyl-amino]methanesulfonate CAS Name: sodium [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(2-methylpropyl)amino]methanesulfonate IUPAC Name: sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonate Traditional Name: sodium [isobutyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methanesulfonate Formula: C16H22N3NaO4S MolecularWeight: 375.41835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S.Na/c1-12(2)10-18(11-24(21,22)23)15-13(3)17(4)19(16(15)20)14-8-6-5-7-9-14;/h5-9,12H,10-11H2,1-4H3,(H,21,22,23);/q;+1/p-1