2-(2-oxidanylideneazepan-3-yl)sulfonylbenzoic acid

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)sulfonylbenzoic acid Openeye Name: 2-(2-oxoazepan-3-yl)sulfonylbenzoic acid CAS Name: 2-[(2-oxo-3-azepanyl)sulfonyl]benzoic acid IUPAC Name: 2-(2-oxoazepan-3-yl)sulfonylbenzoic acid Traditional Name: 2-(2-ketoazepan-3-yl)sulfonylbenzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO5S/c15-12-11(7-3-4-8-14-12)20(18,19)10-6-2-1-5-9(10)13(16)17/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)(H,16,17)