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

Systemtic Name: [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate Openeye Name: [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate CAS Name: [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylamino]methanesulfonate IUPAC Name: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylamino]methanesulfonate Traditional Name: [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methylamino]methanesulfonate Formula: C13H16N3O4S- MolecularWeight: 310.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3,(H,18,19,20)/p-1