3-butyl-4-methyl-5,5-bis-(4-methylphenyl)sulfonyl-1H-pyrrol-2-one

Systemtic Name: 3-butyl-4-methyl-5,5-bis-(4-methylphenyl)sulfonyl-1H-pyrrol-2-one Openeye Name: 3-butyl-4-methyl-5,5-bis(p-tolylsulfonyl)-1H-pyrrol-2-one CAS Name: 3-butyl-4-methyl-5,5-bis-(4-methylphenyl)sulfonyl-1H-pyrrol-2-one IUPAC Name: 3-butyl-4-methyl-5,5-bis-(4-methylphenyl)sulfonyl-1H-pyrrol-2-one Traditional Name: 3-butyl-4-methyl-5,5-ditosyl-3-pyrrolin-2-one Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(NC1=O)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCC1=C(C(NC1=O)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H27NO5S2/c1-5-6-7-21-18(4)23(24-22(21)25,30(26,27)19-12-8-16(2)9-13-19)31(28,29)20-14-10-17(3)11-15-20/h8-15H,5-7H2,1-4H3,(H,24,25)