(2S)-3-(1H-imidazol-5-yl)-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-(1H-imidazol-5-yl)propionic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c16-12(17)11(6-9-7-13-8-14-9)15-20(18,19)10-4-2-1-3-5-10/h1-5,7-8,11,15H,6H2,(H,13,14)(H,16,17)/t11-/m0/s1