[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)CCC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)CCC(C)C

InChI

InChI=1S/C20H26N2O5S/c1-13(2)5-10-20(24)27-12-19(23)18-11-14(3)22(15(18)4)16-6-8-17(9-7-16)28(21,25)26/h6-9,11,13H,5,10,12H2,1-4H3,(H2,21,25,26)