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

Systemtic Name: 3-azanyl-N-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide Openeye Name: 3-amino-N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]benzenesulfonamide CAS Name: 3-amino-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]benzenesulfonamide IUPAC Name: 3-amino-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]benzenesulfonamide Traditional Name: 3-amino-N-[(1R,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]benzenesulfonamide Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6S/c16-11-2-1-3-13(8-11)25(23,24)17-14(9-19)15(20)10-4-6-12(7-5-10)18(21)22/h1-8,14-15,17,19-20H,9,16H2/t14-,15+/m1/s1