2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O4S2/c1-13-17(14(2)25-20-13)11-26-12-18(22)19-15-6-5-7-16(10-15)27(23,24)21-8-3-4-9-21/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,19,22)