2-[(3-fluorophenyl)methylsulfonyl]-5-(phenylsulfamoyl)benzoic acid

Systemtic Name: 2-[(3-fluorophenyl)methylsulfonyl]-5-(phenylsulfamoyl)benzoic acid Openeye Name: 2-[(3-fluorophenyl)methylsulfonyl]-5-(phenylsulfamoyl)benzoic acid CAS Name: 2-[(3-fluorophenyl)methylsulfonyl]-5-(phenylsulfamoyl)benzoic acid IUPAC Name: 2-[(3-fluorophenyl)methylsulfonyl]-5-(phenylsulfamoyl)benzoic acid Traditional Name: 2-(3-fluorobenzyl)sulfonyl-5-(phenylsulfamoyl)benzoic acid Formula: C20H16FNO6S2 MolecularWeight: 449.472543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C20H16FNO6S2/c21-15-6-4-5-14(11-15)13-29(25,26)19-10-9-17(12-18(19)20(23)24)30(27,28)22-16-7-2-1-3-8-16/h1-12,22H,13H2,(H,23,24)