5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-3-carboxylic acid Openeye Name: 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-3-carboxylic acid CAS Name: 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-3-carboxylic acid Traditional Name: 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-3-thenoic acid Formula: C11H16N2O4S2 MolecularWeight: 304.38574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C11H16N2O4S2/c1-12-3-2-4-13(6-5-12)19(16,17)10-7-9(8-18-10)11(14)15/h7-8H,2-6H2,1H3,(H,14,15)