(1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H19N3O6S MolecularWeight: 489.49986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C25H19N3O6S/c26-14-21-18(15-28-10-2-1-3-22(21)28)16-34-25(29)17-4-6-19(7-5-17)27-35(30,31)20-8-9-23-24(13-20)33-12-11-32-23/h1-10,13,15,27H,11-12,16H2