N-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-phenyl-methanesulfonamide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-phenylmethanesulfonamide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-phenylmethanesulfonamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-phenyl-methanesulfonamide Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O6S/c19-10-15(16(20)13-6-8-14(9-7-13)18(21)22)17-25(23,24)11-12-4-2-1-3-5-12/h1-9,15-17,19-20H,10-11H2/t15-,16+/m1/s1