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

Systemtic Name: 1-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]proline Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC3C(=O)O)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC3C(=O)O)OCC(=O)N2

InChI

InChI=1S/C14H16N2O6S/c1-8-5-9-11(22-7-13(17)15-9)6-12(8)23(20,21)16-4-2-3-10(16)14(18)19/h5-6,10H,2-4,7H2,1H3,(H,15,17)(H,18,19)