4-methyl-3-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-[[anilino(oxo)methyl]amino]phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 4-methyl-3-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5S/c1-14-10-11-15(20(25)26)12-19(14)30(28,29)24-18-9-5-8-17(13-18)23-21(27)22-16-6-3-2-4-7-16/h2-13,24H,1H3,(H,25,26)(H2,22,23,27)