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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

InChI

InChI=1S/C14H16N2O6S/c17-13-8-22-12-4-3-10(6-11(12)15-13)23(20,21)16-5-1-2-9(7-16)14(18)19/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)(H,18,19)