(1-cyanoindolizin-2-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N)C

InChI

InChI=1S/C25H27N5O4S/c1-4-30(5-2)35(32,33)19-9-10-23-21(14-19)27-24(28(23)3)11-12-25(31)34-17-18-16-29-13-7-6-8-22(29)20(18)15-26/h6-10,13-14,16H,4-5,11-12,17H2,1-3H3