N-(4-ethoxy-2-ethylsulfanyl-phenyl)-N-(1-pyrimidin-5-ylbutyl)propane-1-sulfonamide

Systemtic Name: N-(4-ethoxy-2-ethylsulfanyl-phenyl)-N-(1-pyrimidin-5-ylbutyl)propane-1-sulfonamide Openeye Name: N-(4-ethoxy-2-ethylsulfanyl-phenyl)-N-(1-pyrimidin-5-ylbutyl)propane-1-sulfonamide CAS Name: N-[4-ethoxy-2-(ethylthio)phenyl]-N-[1-(5-pyrimidinyl)butyl]-1-propanesulfonamide IUPAC Name: N-(4-ethoxy-2-ethylsulfanylphenyl)-N-(1-pyrimidin-5-ylbutyl)propane-1-sulfonamide Traditional Name: N-[4-ethoxy-2-(ethylthio)phenyl]-N-[1-(5-pyrimidyl)butyl]propane-1-sulfonamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=CN=C1)N(C2=C(C=C(C=C2)OCC)SCC)S(=O)(=O)CCC

Isomeric SMILES

CCCC(C1=CN=CN=C1)N(C2=C(C=C(C=C2)OCC)SCC)S(=O)(=O)CCC

InChI

InChI=1S/C21H31N3O3S2/c1-5-9-19(17-14-22-16-23-15-17)24(29(25,26)12-6-2)20-11-10-18(27-7-3)13-21(20)28-8-4/h10-11,13-16,19H,5-9,12H2,1-4H3