1-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-keto-2,6-dimethyl-4H-1,4-benzoxazin-7-yl)sulfonyl]proline Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C15H18N2O6S/c1-8-6-10-12(23-9(2)14(18)16-10)7-13(8)24(21,22)17-5-3-4-11(17)15(19)20/h6-7,9,11H,3-5H2,1-2H3,(H,16,18)(H,19,20)