3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-(3-pyridyl)butanoic acid CAS Name: 3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-phenoxy-4-(3-pyridyl)butyric acid Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(CC2=CN=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(C(CC2=CN=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H21ClN2O5S/c23-18-8-10-20(11-9-18)31(28,29)25-15-17(13-16-5-4-12-24-14-16)21(22(26)27)30-19-6-2-1-3-7-19/h1-12,14,17,21,25H,13,15H2,(H,26,27)