2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H26N6O4S2 MolecularWeight: 490.59894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H26N6O4S2/c1-14-11-15(2)27-20(22-14)24-21(25-27)32-13-19(28)23-16-7-8-17(31-3)18(12-16)33(29,30)26-9-5-4-6-10-26/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,23,28)