[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CNS(=O)(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)CNS(=O)(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C13H13BrN2O5S/c1-2-6-15-12(17)9-21-13(18)8-16-22(19,20)11-5-3-4-10(14)7-11/h1,3-5,7,16H,6,8-9H2,(H,15,17)