2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propane-1-sulfonic acid

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propane-1-sulfonic acid Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propane-1-sulfonic acid CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-propanesulfonic acid IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propane-1-sulfonic acid Traditional Name: 2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propane-1-sulfonic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10(9-21(18,19)20)13-11(2)15(3)16(14(13)17)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,18,19,20)