(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(methylamino)methanesulfonic acid

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(methylamino)methanesulfonic acid Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(methylamino)methanesulfonic acid CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(methylamino)methanesulfonic acid IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(methylamino)methanesulfonic acid Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-(methylamino)methanesulfonic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC)S(=O)(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-9-11(12(14-2)21(18,19)20)13(17)16(15(9)3)10-7-5-4-6-8-10/h4-8,12,14H,1-3H3,(H,18,19,20)