(1-cyanoindolizin-2-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methoxy-3-(p-tolylsulfamoyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)OC

InChI

InChI=1S/C25H21N3O5S/c1-17-6-9-20(10-7-17)27-34(30,31)24-13-18(8-11-23(24)32-2)25(29)33-16-19-15-28-12-4-3-5-22(28)21(19)14-26/h3-13,15,27H,16H2,1-2H3