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

Systemtic Name: 2-[4-azanyl-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H22N4O5S2/c1-13-3-5-16(9-14(13)2)33(28,29)19-11-24-22(26-21(19)23)32-12-20(27)25-15-4-6-17-18(10-15)31-8-7-30-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,25,27)(H2,23,24,26)