(2S)-3-(3-nitro-4-oxidanyl-phenyl)-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2S)-3-(3-nitro-4-oxidanyl-phenyl)-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N2O7S/c18-14-7-6-10(9-13(14)17(21)22)8-12(15(19)20)16-25(23,24)11-4-2-1-3-5-11/h1-7,9,12,16,18H,8H2,(H,19,20)/t12-/m0/s1