5-(azepan-1-ylsulfonylamino)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(azepan-1-ylsulfonylamino)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(azepan-1-ylsulfonylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-(1-azepanylsulfonylamino)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(azepan-1-ylsulfonylamino)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(azepan-1-ylsulfonylamino)-3-methyl-2-thenoic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NS(=O)(=O)N2CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NS(=O)(=O)N2CCCCCC2)C(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-9-8-10(19-11(9)12(15)16)13-20(17,18)14-6-4-2-3-5-7-14/h8,13H,2-7H2,1H3,(H,15,16)