1-[3-butanoyl-5-[(4-methylphenyl)sulfonylmethylsulfonyl]phenyl]butan-1-one

Systemtic Name: 1-[3-butanoyl-5-[(4-methylphenyl)sulfonylmethylsulfonyl]phenyl]butan-1-one Openeye Name: 1-[3-butanoyl-5-(p-tolylsulfonylmethylsulfonyl)phenyl]butan-1-one CAS Name: 1-[3-[(4-methylphenyl)sulfonylmethylsulfonyl]-5-(1-oxobutyl)phenyl]-1-butanone IUPAC Name: 1-[3-butanoyl-5-[(4-methylphenyl)sulfonylmethylsulfonyl]phenyl]butan-1-one Traditional Name: 1-[3-butyryl-5-(tosylmethylsulfonyl)phenyl]butan-1-one Formula: C22H26O6S2 MolecularWeight: 450.56824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC(=C1)S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CCC

Isomeric SMILES

CCCC(=O)C1=CC(=CC(=C1)S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CCC

InChI

InChI=1S/C22H26O6S2/c1-4-6-21(23)17-12-18(22(24)7-5-2)14-20(13-17)30(27,28)15-29(25,26)19-10-8-16(3)9-11-19/h8-14H,4-7,15H2,1-3H3