4-butyl-1-(4-methylsulfonylphenyl)-2-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-butyl-1-(4-methylsulfonylphenyl)-2-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-1-(4-methylsulfonylphenyl)-2-phenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-1-(4-methylsulfonylphenyl)-2-phenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-1-(4-methylsulfonylphenyl)-2-phenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-1-(4-mesylphenyl)-2-phenyl-pyrazolidine-3,5-quinone Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-3-4-10-18-19(23)21(15-8-6-5-7-9-15)22(20(18)24)16-11-13-17(14-12-16)27(2,25)26/h5-9,11-14,18H,3-4,10H2,1-2H3