2-cyclopropyl-4-(3-ethenyl-2-methoxy-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-cyclopropyl-4-(3-ethenyl-2-methoxy-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-cyclopropyl-4-(2-methoxy-4-methylsulfonyl-3-vinyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-cyclopropyl-4-[(3-ethenyl-2-methoxy-4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-cyclopropyl-4-(3-ethenyl-2-methoxy-4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-cyclopropyl-4-(4-mesyl-2-methoxy-3-vinyl-benzoyl)-3-pyrazolin-3-one Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C=C)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C3CC3

Isomeric SMILES

COC1=C(C=CC(=C1C=C)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C3CC3

InChI

InChI=1S/C17H18N2O5S/c1-4-11-14(25(3,22)23)8-7-12(16(11)24-2)15(20)13-9-18-19(17(13)21)10-5-6-10/h4,7-10,18H,1,5-6H2,2-3H3