5-(azepan-1-ylsulfonyl)furan-2-carboxylic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)furan-2-carboxylic acid Openeye Name: 5-(azepan-1-ylsulfonyl)furan-2-carboxylic acid CAS Name: 5-(1-azepanylsulfonyl)-2-furancarboxylic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)furan-2-carboxylic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2-furoic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H15NO5S/c13-11(14)9-5-6-10(17-9)18(15,16)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2,(H,13,14)