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

Systemtic Name: 2-nitro-N-[(1R,2S)-1-oxidanyl-1-(4-phenylmethoxyphenyl)propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-2-(4-benzyloxyphenyl)-2-hydroxy-1-methyl-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2S)-1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-2-(4-benzoxyphenyl)-2-hydroxy-1-methyl-ethyl]-2-nitro-benzenesulfonamide Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OCC2=CC=CC=C2)O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6S/c1-16(23-31(28,29)21-10-6-5-9-20(21)24(26)27)22(25)18-11-13-19(14-12-18)30-15-17-7-3-2-4-8-17/h2-14,16,22-23,25H,15H2,1H3/t16-,22-/m0/s1