[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

InChI

InChI=1S/C16H18N2O5S/c1-4-9-17-15(19)12(3)23-16(20)13-7-6-8-14(11-13)24(21,22)18-10-5-2/h2,4,6-8,11-12,18H,1,9-10H2,3H3,(H,17,19)