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

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)-4-methyl-3-oxidanylidene-pyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-pyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-4-pyrazolidinyl]methoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)-4-methyl-3-oxopyrazolidin-4-yl]methoxycarbonyl]benzenesulfonic acid Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)-3-keto-4-methyl-pyrazolidin-4-yl]methoxycarbonyl]besylic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC(=C(C=C2)OC)OC)COC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1(CN(NC1=O)C2=CC(=C(C=C2)OC)OC)COC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C20H22N2O8S/c1-20(12-30-18(23)14-6-4-5-7-17(14)31(25,26)27)11-22(21-19(20)24)13-8-9-15(28-2)16(10-13)29-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,25,26,27)