[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-(allylsulfamoyl)-2-bromo-benzoate CAS Name: 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-bromo-5-(prop-2-enylsulfamoyl)benzoate Traditional Name: 5-(allylsulfamoyl)-2-bromo-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20BrN3O5S MolecularWeight: 470.3375

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H20BrN3O5S/c1-2-9-21-28(25,26)13-5-6-15(19)14(10-13)17(24)27-11-16(23)22-18(12-20)7-3-4-8-18/h2,5-6,10,21H,1,3-4,7-9,11H2,(H,22,23)