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

Systemtic Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenoxy-propanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenoxy-propanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-phenoxypropyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenoxypropanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(brosylamino)-3-phenoxy-propanoyl]amino]phenyl]acetic acid Formula: C23H21BrN2O6S MolecularWeight: 533.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O6S/c24-17-8-12-20(13-9-17)33(30,31)26-21(15-32-19-4-2-1-3-5-19)23(29)25-18-10-6-16(7-11-18)14-22(27)28/h1-13,21,26H,14-15H2,(H,25,29)(H,27,28)