[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 5-(allylsulfamoyl)-2-bromo-benzoate CAS Name: 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-bromo-5-(prop-2-enylsulfamoyl)benzoate Traditional Name: 5-(allylsulfamoyl)-2-bromo-benzoic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C20H27BrN2O5S MolecularWeight: 487.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC=C)Br

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC=C)Br

InChI

InChI=1S/C20H27BrN2O5S/c1-4-11-22-29(26,27)16-9-10-18(21)17(13-16)20(25)28-14(3)19(24)23-12-7-6-8-15(23)5-2/h4,9-10,13-15,22H,1,5-8,11-12H2,2-3H3