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

Systemtic Name: 4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 4-[[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=C(C=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=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

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