methyl 4-[[[4-chloranyl-3-(prop-2-enylsulfamoyl)phenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-chloranyl-3-(prop-2-enylsulfamoyl)phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(allylsulfamoyl)-4-chloro-benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[4-chloro-3-(prop-2-enylsulfamoyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-chloro-3-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(allylsulfamoyl)-4-chloro-benzoyl]amino]methyl]benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC=C

InChI

InChI=1S/C19H19ClN2O5S/c1-3-10-22-28(25,26)17-11-15(8-9-16(17)20)18(23)21-12-13-4-6-14(7-5-13)19(24)27-2/h3-9,11,22H,1,10,12H2,2H3,(H,21,23)