2-[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]-5-methyl-2-pyrazolin-3-one Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)CCO)OC

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)CCO)OC

InChI

InChI=1S/C13H16N2O5S/c1-9-7-13(17)15(14-9)11-8-10(3-4-12(11)20-2)21(18,19)6-5-16/h3-4,8,16H,5-7H2,1-2H3