2-[4-azanyl-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N4O4S2/c1-13-4-9-17(10-14(13)2)31(27,28)18-11-23-21(25-20(18)22)30-12-19(26)24-15-5-7-16(29-3)8-6-15/h4-11H,12H2,1-3H3,(H,24,26)(H2,22,23,25)