3-butylsulfanyl-4-(phenylsulfanylsulfamoyl)benzoic acid

Systemtic Name: 3-butylsulfanyl-4-(phenylsulfanylsulfamoyl)benzoic acid Openeye Name: 3-butylsulfanyl-4-(phenylsulfanylsulfamoyl)benzoic acid CAS Name: 3-(butylthio)-4-[(phenylthio)sulfamoyl]benzoic acid IUPAC Name: 3-butylsulfanyl-4-(phenylsulfanylsulfamoyl)benzoic acid Traditional Name: 3-(butylthio)-4-[(phenylthio)sulfamoyl]benzoic acid Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)NSC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)NSC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S3/c1-2-3-11-23-15-12-13(17(19)20)9-10-16(15)25(21,22)18-24-14-7-5-4-6-8-14/h4-10,12,18H,2-3,11H2,1H3,(H,19,20)