4-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxy-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxy-propanoyl]amino]benzoic acid Openeye Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyloxy)propanoyl]amino]benzoic acid CAS Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-1-oxo-3-(3-pyridinyloxy)propyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyloxy)propanoyl]amino]benzoic acid Formula: C21H18ClN3O6S MolecularWeight: 475.90212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6S/c22-15-5-9-18(10-6-15)32(29,30)25-19(13-31-17-2-1-11-23-12-17)20(26)24-16-7-3-14(4-8-16)21(27)28/h1-12,19,25H,13H2,(H,24,26)(H,27,28)