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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3)C

InChI

InChI=1S/C23H29ClN2O6S/c1-4-9-26-15(2)11-19(16(26)3)21(27)14-32-23(28)17-7-8-20(24)22(12-17)33(29,30)25-13-18-6-5-10-31-18/h7-8,11-12,18,25H,4-6,9-10,13-14H2,1-3H3