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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(COC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(COC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

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