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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)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] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C22H27ClN2O5S/c1-6-11-25-15(4)12-18(16(25)5)21(26)14-30-22(27)19-13-17(9-10-20(19)23)31(28,29)24(7-2)8-3/h6,9-10,12-13H,1,7-8,11,14H2,2-5H3