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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-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-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C23H27ClN2O6S/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/h4,7-8,11-12,18,25H,1,5-6,9-10,13-14H2,2-3H3