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

Systemtic Name: 3-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid Openeye Name: 3-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid CAS Name: 3-(1-azepanylsulfonyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-2-thenoic acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

InChI

InChI=1S/C11H15NO4S2/c13-11(14)10-9(5-8-17-10)18(15,16)12-6-3-1-2-4-7-12/h5,8H,1-4,6-7H2,(H,13,14)