3-azanyl-4-butylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-butylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-butylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-(butylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-butylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-(butylthio)-5-sulfamoyl-benzoic acid Formula: C11H16N2O4S2 MolecularWeight: 304.38574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N

Isomeric SMILES

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N

InChI

InChI=1S/C11H16N2O4S2/c1-2-3-4-18-10-8(12)5-7(11(14)15)6-9(10)19(13,16)17/h5-6H,2-4,12H2,1H3,(H,14,15)(H2,13,16,17)