[(2,3-dimethyl-5-oxidanylidene-1H-pyrazol-4-yl)-(phenylmethyl)amino]methanesulfonic acid

Systemtic Name: [(2,3-dimethyl-5-oxidanylidene-1H-pyrazol-4-yl)-(phenylmethyl)amino]methanesulfonic acid Openeye Name: [benzyl-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)amino]methanesulfonic acid CAS Name: [(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)-(phenylmethyl)amino]methanesulfonic acid IUPAC Name: [benzyl-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)amino]methanesulfonic acid Traditional Name: [benzyl-(3-keto-1,5-dimethyl-3-pyrazolin-4-yl)amino]methanesulfonic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1C)N(CC2=CC=CC=C2)CS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)NN1C)N(CC2=CC=CC=C2)CS(=O)(=O)O

InChI

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