1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]isonipecotic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C14H16N2O6S/c17-13-8-22-12-2-1-10(7-11(12)15-13)23(20,21)16-5-3-9(4-6-16)14(18)19/h1-2,7,9H,3-6,8H2,(H,15,17)(H,18,19)