3-chloranylsulfonyl-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 3-chlorosulfonyl-4-phenyl-5-(2-pyridylmethylsulfanyl)benzoic acid CAS Name: 3-chlorosulfonyl-4-phenyl-5-(2-pyridinylmethylthio)benzoic acid IUPAC Name: 3-chlorosulfonyl-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 3-chlorosulfonyl-4-phenyl-5-(2-pyridylmethylthio)benzoic acid Formula: C19H14ClNO4S2 MolecularWeight: 419.90176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=N3

InChI

InChI=1S/C19H14ClNO4S2/c20-27(24,25)17-11-14(19(22)23)10-16(18(17)13-6-2-1-3-7-13)26-12-15-8-4-5-9-21-15/h1-11H,12H2,(H,22,23)