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

Systemtic Name: 3,4-dimethyl-5-[[4-(prop-2-enylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(allylcarbamoylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(prop-2-enylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-(allylcarbamoylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)C

InChI

InChI=1S/C19H21N3O5S/c1-4-9-20-19(25)21-15-5-7-16(8-6-15)22-28(26,27)17-11-14(18(23)24)10-12(2)13(17)3/h4-8,10-11,22H,1,9H2,2-3H3,(H,23,24)(H2,20,21,25)