N-[4-[(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O4S2/c1-11(22-14-5-3-4-10-17(14)19)15(18)12-6-8-13(9-7-12)16-23(2,20)21/h3-11,16H,1-2H3/t11-/m0/s1