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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-3-methyl-2-thenoic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2/c1-9-8-10(18-11(9)12(14)15)19(16,17)13-6-4-2-3-5-7-13/h8H,2-7H2,1H3,(H,14,15)