[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H25ClN2O6S/c1-13-9-17(14(2)24(13)3)19(25)12-30-21(26)15-6-7-18(22)20(10-15)31(27,28)23-11-16-5-4-8-29-16/h6-7,9-10,16,23H,4-5,8,11-12H2,1-3H3