3,4-dimethyl-5-[[2-(prop-2-enylcarbamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[2-(prop-2-enylcarbamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(allylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-[[2-[oxo-(prop-2-enylamino)methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[2-(prop-2-enylcarbamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(allylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC=C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC=C)C

InChI

InChI=1S/C19H20N2O5S/c1-4-9-20-18(22)15-7-5-6-8-16(15)21-27(25,26)17-11-14(19(23)24)10-12(2)13(17)3/h4-8,10-11,21H,1,9H2,2-3H3,(H,20,22)(H,23,24)