2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C19H16N4O3S2/c1-22(2)28(24,25)14-6-7-18-16(9-14)21-19(26-18)27-12-13-11-23-8-4-3-5-17(23)15(13)10-20/h3-9,11H,12H2,1-2H3