3-[4-(4-methylphenyl)sulfonyl-7-(2-oxidanylideneoxolan-3-yl)-1,4,7-triazonan-1-yl]oxolan-2-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfonyl-7-(2-oxidanylideneoxolan-3-yl)-1,4,7-triazonan-1-yl]oxolan-2-one Openeye Name: 3-[4-(2-oxotetrahydrofuran-3-yl)-7-(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]tetrahydrofuran-2-one CAS Name: 3-[4-(4-methylphenyl)sulfonyl-7-(2-oxo-3-oxolanyl)-1,4,7-triazonan-1-yl]-2-oxolanone IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-7-(2-oxooxolan-3-yl)-1,4,7-triazonan-1-yl]oxolan-2-one Traditional Name: 3-[4-(2-ketotetrahydrofuran-3-yl)-7-tosyl-1,4,7-triazonan-1-yl]tetrahydrofuran-2-one Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)C3CCOC3=O)C4CCOC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)C3CCOC3=O)C4CCOC4=O

InChI

InChI=1S/C21H29N3O6S/c1-16-2-4-17(5-3-16)31(27,28)24-12-10-22(18-6-14-29-20(18)25)8-9-23(11-13-24)19-7-15-30-21(19)26/h2-5,18-19H,6-15H2,1H3