4,4-bis-(4-methylphenyl)sulfonyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4,4-bis-(4-methylphenyl)sulfonyl-1-morpholin-4-yl-butan-1-one Openeye Name: 1-morpholino-4,4-bis(p-tolylsulfonyl)butan-1-one CAS Name: 4,4-bis-(4-methylphenyl)sulfonyl-1-(4-morpholinyl)-1-butanone IUPAC Name: 4,4-bis-(4-methylphenyl)sulfonyl-1-morpholin-4-ylbutan-1-one Traditional Name: 1-morpholino-4,4-ditosyl-butan-1-one Formula: C22H27NO6S2 MolecularWeight: 465.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO6S2/c1-17-3-7-19(8-4-17)30(25,26)22(12-11-21(24)23-13-15-29-16-14-23)31(27,28)20-9-5-18(2)6-10-20/h3-10,22H,11-16H2,1-2H3