N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O4S2/c1-15-13-18(24-29-15)23-21(26)20(16-7-3-2-4-8-16)30-19-10-9-17(14-22-19)31(27,28)25-11-5-6-12-25/h2-4,7-10,13-14,20H,5-6,11-12H2,1H3,(H,23,24,26)