[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-chloranyl-3-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-chloranyl-3-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(allylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-(prop-2-enylsulfamoyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-chloro-3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)-4-chloro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC=C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC=C

InChI

InChI=1S/C17H23ClN2O5S/c1-4-9-19-26(23,24)15-10-12(7-8-14(15)18)17(22)25-11-16(21)20-13(5-2)6-3/h4,7-8,10,13,19H,1,5-6,9,11H2,2-3H3,(H,20,21)