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

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic 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] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)C3CCC=CC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3CCC=CC3

InChI

InChI=1S/C21H24N2O5S/c1-14-12-19(20(24)13-28-21(25)16-6-4-3-5-7-16)15(2)23(14)17-8-10-18(11-9-17)29(22,26)27/h3-4,8-12,16H,5-7,13H2,1-2H3,(H2,22,26,27)