[4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate CAS Name: 1-methyl-4-(methylsulfamoyl)-2-pyrrolecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate Traditional Name: 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C(=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C

Isomeric SMILES

CNS(=O)(=O)C1=CN(C(=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H19N3O4S/c1-23-29(26,27)18-11-20(24(2)13-18)21(25)28-14-15-7-9-16(10-8-15)19-6-4-3-5-17(19)12-22/h3-11,13,23H,14H2,1-2H3