[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S/c1-4-8-17-26(23,24)13-7-5-6-12(9-13)15(21)25-10-14(20)19-16(22)18-11(2)3/h1,5-7,9,11,17H,8,10H2,2-3H3,(H2,18,19,20,22)