2-[[1-(3,4-dimethylphenyl)-4-methyl-3-oxidanylidene-pyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-3-oxidanylidene-pyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid Openeye Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-3-oxo-pyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-3-oxo-4-pyrazolidinyl]methoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-3-oxopyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid Traditional Name: 2-[[1-(3,4-dimethylphenyl)-3-keto-4-methyl-pyrazolidin-4-yl]methoxycarbonyl]besylic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(C(=O)N2)(C)COC(=O)C3=CC=CC=C3S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(C(=O)N2)(C)COC(=O)C3=CC=CC=C3S(=O)(=O)O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-8-9-15(10-14(13)2)22-11-20(3,19(24)21-22)12-28-18(23)16-6-4-5-7-17(16)29(25,26)27/h4-10H,11-12H2,1-3H3,(H,21,24)(H,25,26,27)