1,5-dimethyl-2-phenyl-4-(phenylsulfonylmethyl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(phenylsulfonylmethyl)pyrazol-3-one Openeye Name: 4-(benzenesulfonylmethyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(benzenesulfonylmethyl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(benzenesulfonylmethyl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(besylmethyl)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-14-17(13-24(22,23)16-11-7-4-8-12-16)18(21)20(19(14)2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3