5-(azocan-1-ylsulfonyl)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(azocan-1-ylsulfonyl)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(azocan-1-ylsulfonyl)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-(1-azocanylsulfonyl)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(azocan-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(azocan-1-ylsulfonyl)-3-methyl-2-thenoic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCCCCCC2)C(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-10-9-11(19-12(10)13(15)16)20(17,18)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,15,16)