N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C14H19N3O4S/c1-2-17-7-3-4-10(17)9-15-22(19,20)11-5-6-12-13(8-11)21-14(18)16-12/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18)/p+1/t10-/m1/s1