3-methyl-5-[(2-oxidanylideneazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(2-oxidanylideneazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(2-oxoazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(2-oxo-3-azepanyl)sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(2-oxoazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(2-ketoazepan-3-yl)sulfamoyl]-3-methyl-2-thenoic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)NC2CCCCNC2=O)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)NC2CCCCNC2=O)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-7-6-9(20-10(7)12(16)17)21(18,19)14-8-4-2-3-5-13-11(8)15/h6,8,14H,2-5H2,1H3,(H,13,15)(H,16,17)