(5-ethanoyl-2-ethoxy-phenyl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OCC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OCC)C

InChI

InChI=1S/C21H28N2O6S/c1-6-23(7-2)30(26,27)18-12-19(22(5)13-18)21(25)29-14-17-11-16(15(4)24)9-10-20(17)28-8-3/h9-13H,6-8,14H2,1-5H3