3-pentylsulfanyl-4-(phenoxysulfamoyl)benzoic acid

Systemtic Name: 3-pentylsulfanyl-4-(phenoxysulfamoyl)benzoic acid Openeye Name: 3-pentylsulfanyl-4-(phenoxysulfamoyl)benzoic acid CAS Name: 3-(pentylthio)-4-(phenoxysulfamoyl)benzoic acid IUPAC Name: 3-pentylsulfanyl-4-(phenoxysulfamoyl)benzoic acid Traditional Name: 3-(amylthio)-4-(phenoxysulfamoyl)benzoic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)NOC2=CC=CC=C2

Isomeric SMILES

CCCCCSC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)NOC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S2/c1-2-3-7-12-25-16-13-14(18(20)21)10-11-17(16)26(22,23)19-24-15-8-5-4-6-9-15/h4-6,8-11,13,19H,2-3,7,12H2,1H3,(H,20,21)