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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-(allylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-(prop-2-enylsulfamoyl)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)-4-chloro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC=C

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC=C

InChI

InChI=1S/C16H21ClN2O5S/c1-4-7-19-25(22,23)14-8-12(5-6-13(14)17)16(21)24-10-15(20)18-9-11(2)3/h4-6,8,11,19H,1,7,9-10H2,2-3H3,(H,18,20)