2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(brosylamino)-3-imidazol-1-yl-propanoyl]amino]phenyl]acetic acid Formula: C20H19BrN4O5S MolecularWeight: 507.35766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O5S/c21-15-3-7-17(8-4-15)31(29,30)24-18(12-25-10-9-22-13-25)20(28)23-16-5-1-14(2-6-16)11-19(26)27/h1-10,13,18,24H,11-12H2,(H,23,28)(H,26,27)