2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H22N6O4S2/c27-17(23-19-21-10-5-11-22-19)14-31-20-25-24-18(30-20)15-6-8-16(9-7-15)32(28,29)26-12-3-1-2-4-13-26/h5-11H,1-4,12-14H2,(H,21,22,23,27)