N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzoxazin-4-yl)-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O5S2/c1-32-18-6-4-17(5-7-18)10-11-24-22(27)15-26-20-14-19(8-9-21(20)31-16-23(26)28)33(29,30)25-12-2-3-13-25/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,24,27)