[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(isopropylsulfamoyl)benzoate CAS Name: 4-(propan-2-ylsulfamoyl)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-(propan-2-ylsulfamoyl)benzoate Traditional Name: 4-(isopropylsulfamoyl)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C

InChI

InChI=1S/C21H26N2O5S/c1-6-11-23-15(4)12-19(16(23)5)20(24)13-28-21(25)17-7-9-18(10-8-17)29(26,27)22-14(2)3/h6-10,12,14,22H,1,11,13H2,2-5H3