3-chloranylsulfonyl-4-(phenylcarbonyl)-5-(pyridin-2-ylmethoxy)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(phenylcarbonyl)-5-(pyridin-2-ylmethoxy)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-(2-pyridylmethoxy)benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(2-pyridinylmethoxy)benzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-(pyridin-2-ylmethoxy)benzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-(2-pyridylmethoxy)benzoic acid Formula: C20H14ClNO6S MolecularWeight: 431.84626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=CC=N3

InChI

InChI=1S/C20H14ClNO6S/c21-29(26,27)17-11-14(20(24)25)10-16(28-12-15-8-4-5-9-22-15)18(17)19(23)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25)