2,6-bis(azanyl)hexanoic acid; 5-methyl-2,2-bis(oxidanylidene)-6-phenyl-1,2,3-oxathiazin-4-one

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 5-methyl-2,2-bis(oxidanylidene)-6-phenyl-1,2,3-oxathiazin-4-one Openeye Name: 2,6-diaminohexanoic acid; 5-methyl-2,2-dioxo-6-phenyl-oxathiazin-4-one CAS Name: 2,6-diaminohexanoic acid; 5-methyl-2,2-dioxo-6-phenyl-4-oxathiazinone IUPAC Name: 2,6-diaminohexanoic acid; 5-methyl-2,2-dioxo-6-phenyloxathiazin-4-one Traditional Name: 2,6-diaminohexanoic acid; 2,2-diketo-5-methyl-6-phenyl-oxathiazin-4-one Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OS(=O)(=O)NC1=O)C2=CC=CC=C2.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC1=C(OS(=O)(=O)NC1=O)C2=CC=CC=C2.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C10H9NO4S.C6H14N2O2/c1-7-9(8-5-3-2-4-6-8)15-16(13,14)11-10(7)12;7-4-2-1-3-5(8)6(9)10/h2-6H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)