methyl 2-(3-methyl-3-oxidanyl-butyl)sulfanyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-(3-methyl-3-oxidanyl-butyl)sulfanyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-(3-hydroxy-3-methyl-butyl)sulfanyl-5-sulfamoyl-benzoate CAS Name: 2-[(3-hydroxy-3-methylbutyl)thio]-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxy-3-methylbutyl)sulfanyl-5-sulfamoylbenzoate Traditional Name: 2-[(3-hydroxy-3-methyl-butyl)thio]-5-sulfamoyl-benzoic acid methyl ester Formula: C13H19NO5S2 MolecularWeight: 333.42366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC)O

Isomeric SMILES

CC(C)(CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC)O

InChI

InChI=1S/C13H19NO5S2/c1-13(2,16)6-7-20-11-5-4-9(21(14,17)18)8-10(11)12(15)19-3/h4-5,8,16H,6-7H2,1-3H3,(H2,14,17,18)