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

Systemtic Name: 4-methoxy-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]-4-methoxy-benzenesulfonamide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-methoxy-benzenesulfonamide Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O7S/c1-25-13-6-8-14(9-7-13)26(23,24)17-15(10-19)16(20)11-2-4-12(5-3-11)18(21)22/h2-9,15-17,19-20H,10H2,1H3/t15-,16+/m1/s1