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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetamide Formula: C18H22ClN3O4S2 MolecularWeight: 443.96798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S2/c1-12-15(13(2)26-21-12)10-27-11-18(23)20-14-5-6-16(19)17(9-14)28(24,25)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,23)