(1-cyanoindolizin-2-yl)methyl 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-[allyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C26H21N3O4S/c1-2-14-29(22-10-4-3-5-11-22)34(31,32)23-12-8-9-20(16-23)26(30)33-19-21-18-28-15-7-6-13-25(28)24(21)17-27/h2-13,15-16,18H,1,14,19H2