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

Systemtic Name: [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazolidin-4-yl)-methyl-amino]methanesulfonate Openeye Name: [(1,5-dimethyl-3-oxo-2-phenyl-pyrazolidin-4-yl)-methyl-amino]methanesulfonate CAS Name: [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolidinyl)-methylamino]methanesulfonate IUPAC Name: [(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-methylamino]methanesulfonate Traditional Name: [(3-keto-1,5-dimethyl-2-phenyl-pyrazolidin-4-yl)-methyl-amino]methanesulfonate Formula: C13H18N3O4S- MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-]

Isomeric SMILES

CC1C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,18,19,20)/p-1