N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19N3O6S2/c1-13-2-5-15(6-3-13)32(27,28)18-11-22-21(24-20(18)26)31-12-19(25)23-14-4-7-16-17(10-14)30-9-8-29-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,25)(H,22,24,26)