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

Systemtic Name: 2-[(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methoxycarbonyl]benzenesulfonic acid Openeye Name: 2-[(4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methoxycarbonyl]benzenesulfonic acid CAS Name: 2-[(4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methoxycarbonyl]benzenesulfonic acid Traditional Name: 2-[(3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methoxycarbonyl]besylic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-18(11-20(19-17(18)22)13-7-3-2-4-8-13)12-26-16(21)14-9-5-6-10-15(14)27(23,24)25/h2-10H,11-12H2,1H3,(H,19,22)(H,23,24,25)