2,4,6-trimethyl-N-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide Openeye Name: N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H22N2O6S/c1-11-8-12(2)18(13(3)9-11)27(25,26)19-16(10-21)17(22)14-4-6-15(7-5-14)20(23)24/h4-9,16-17,19,21-22H,10H2,1-3H3/t16-,17+/m1/s1