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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-3-5-10-18-17(23)20-15(21)12-26-16(22)13-7-6-8-14(11-13)27(24,25)19-9-4-2/h2,6-8,11,19H,3,5,9-10,12H2,1H3,(H2,18,20,21,23)