N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide Openeye Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide CAS Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide IUPAC Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide Traditional Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)methanesulfonamide iodide Formula: C9H11IN2O3S MolecularWeight: 354.16471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(O1)C=CC(=C2)NS(=O)(=O)C.[I-]

Isomeric SMILES

CC1=[NH+]C2=C(O1)C=CC(=C2)NS(=O)(=O)C.[I-]

InChI

InChI=1S/C9H10N2O3S.HI/c1-6-10-8-5-7(11-15(2,12)13)3-4-9(8)14-6;/h3-5,11H,1-2H3;1H