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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c15-12-11(6-1-2-7-14-12)20(18,19)10-5-3-4-9(8-10)13(16)17/h3-5,8,11H,1-2,6-7H2,(H,14,15)(H,16,17)