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

Systemtic Name: 1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)sulfonyl]proline Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S/c1-8-13(17)15-10-7-9(4-5-12(10)22-8)23(20,21)16-6-2-3-11(16)14(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,17)(H,18,19)