[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O6S/c1-5-26(6-2)33(30,31)20-14-21(25(4)15-20)23(29)32-16-22(28)19-11-9-18(10-12-19)8-7-13-24-17(3)27/h9-12,14-15H,5-8,13,16H2,1-4H3,(H,24,27)