3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(brosylamino)-3-phenyl-propanoyl]amino]benzoic acid Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O5S/c23-17-9-11-19(12-10-17)31(29,30)25-20(13-15-5-2-1-3-6-15)21(26)24-18-8-4-7-16(14-18)22(27)28/h1-12,14,20,25H,13H2,(H,24,26)(H,27,28)