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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-methyl-4-sulfamoyl-pyrrole-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1-methyl-4-sulfamoyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-sulfamoyl-2-pyrrolecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-sulfamoyl-pyrrole-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O6S/c1-13(23)21-9-3-4-14-5-7-15(8-6-14)18(24)12-28-19(25)17-10-16(11-22(17)2)29(20,26)27/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23)(H2,20,26,27)