3-[[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[5-[(4-bromoanilino)-oxomethyl]-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[5-[(4-bromophenyl)carbamoyl]-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O5S/c1-13-5-6-14(20(25)23-17-9-7-16(22)8-10-17)12-19(13)30(28,29)24-18-4-2-3-15(11-18)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)