5-methyl-2-[4-methyl-3-(2-methylprop-2-enoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 5-methyl-2-[4-methyl-3-(2-methylprop-2-enoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 5-methyl-2-[4-methyl-3-(2-methylprop-2-enoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 5-methyl-2-[4-methyl-3-[(2-methyl-1-oxoprop-2-enyl)amino]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 5-methyl-2-[4-methyl-3-(2-methylprop-2-enoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2-(5-keto-3-methacrylamido-4-methyl-2-pyrazolin-1-yl)-5-methyl-besylic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C2=C(C=C(C=C2)C)S(=O)(=O)O)NC(=O)C(=C)C

Isomeric SMILES

CC1C(=NN(C1=O)C2=C(C=C(C=C2)C)S(=O)(=O)O)NC(=O)C(=C)C

InChI

InChI=1S/C15H17N3O5S/c1-8(2)14(19)16-13-10(4)15(20)18(17-13)11-6-5-9(3)7-12(11)24(21,22)23/h5-7,10H,1H2,2-4H3,(H,16,17,19)(H,21,22,23)