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

Systemtic Name: 2-[[5-(2-methylpropylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[5-(isobutylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid CAS Name: 2-[[5-[(2-methylpropylamino)-oxomethyl]-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid IUPAC Name: 2-[[5-(2-methylpropylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[3-(isobutylcarbamoyl)-5-keto-3-pyrazolin-1-yl]methyl]besylic acid Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=O)N(N1)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=O)N(N1)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C15H19N3O5S/c1-10(2)8-16-15(20)12-7-14(19)18(17-12)9-11-5-3-4-6-13(11)24(21,22)23/h3-7,10,17H,8-9H2,1-2H3,(H,16,20)(H,21,22,23)