[(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid

Systemtic Name: [(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid Openeye Name: [(1,5-dimethyl-3-methylene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid CAS Name: [(1,5-dimethyl-3-methylene-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonic acid IUPAC Name: [(1,5-dimethyl-3-methylidene-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid Traditional Name: [(1,5-dimethyl-3-methylene-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-11-14(15(3)10-21(18,19)20)12(2)17(16(11)4)13-8-6-5-7-9-13/h5-9H,2,10H2,1,3-4H3,(H,18,19,20)