[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 5-(allylsulfamoyl)-2-bromo-benzoate CAS Name: 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-bromo-5-(prop-2-enylsulfamoyl)benzoate Traditional Name: 5-(allylsulfamoyl)-2-bromo-benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC=C)Br

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC=C)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-4-9-23-30(27,28)16-7-8-19(22)18(11-16)21(26)29-12-20(25)17-10-13(2)24(14(17)3)15-5-6-15/h4,7-8,10-11,15,23H,1,5-6,9,12H2,2-3H3