N-methyl-4-nitro-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]benzenesulfonamide

Systemtic Name: N-methyl-4-nitro-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-12(16(19)13-6-4-3-5-7-13)17(2)24(22,23)15-10-8-14(9-11-15)18(20)21/h3-12,16,19H,1-2H3/t12-,16+/m0/s1