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

Systemtic Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-pyridin-3-yloxy-propanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-(3-pyridyloxy)propanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-(3-pyridinyloxy)propyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(brosylamino)-3-(3-pyridyloxy)propanoyl]amino]phenyl]acetic acid Formula: C22H20BrN3O6S MolecularWeight: 534.3797

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H20BrN3O6S/c23-16-5-9-19(10-6-16)33(30,31)26-20(14-32-18-2-1-11-24-13-18)22(29)25-17-7-3-15(4-8-17)12-21(27)28/h1-11,13,20,26H,12,14H2,(H,25,29)(H,27,28)