1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]proline Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6S/c16-12-7-21-11-4-3-8(6-9(11)14-12)22(19,20)15-5-1-2-10(15)13(17)18/h3-4,6,10H,1-2,5,7H2,(H,14,16)(H,17,18)