N-[4-[(1S)-2-nitro-1-oxidanyl-ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(1S)-2-nitro-1-oxidanyl-ethyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(1S)-1-hydroxy-2-nitro-ethyl]phenyl]methanesulfonamide CAS Name: N-[4-[(1S)-1-hydroxy-2-nitroethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(1S)-1-hydroxy-2-nitroethyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(1S)-1-hydroxy-2-nitro-ethyl]phenyl]methanesulfonamide Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(C[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])O

InChI

InChI=1S/C9H12N2O5S/c1-17(15,16)10-8-4-2-7(3-5-8)9(12)6-11(13)14/h2-5,9-10,12H,6H2,1H3/t9-/m1/s1