[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO5S/c1-2-11-19-15(20)12-24-16(21)17(9-3-4-10-17)25(22,23)14-7-5-13(18)6-8-14/h1,5-8H,3-4,9-12H2,(H,19,20)