N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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