methyl 3-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate Traditional Name: 3-[[4-(propargylsulfamoyl)benzoyl]amino]propionic acid methyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC#C

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC#C

InChI

InChI=1S/C14H16N2O5S/c1-3-9-16-22(19,20)12-6-4-11(5-7-12)14(18)15-10-8-13(17)21-2/h1,4-7,16H,8-10H2,2H3,(H,15,18)