(E)-ethene-1,2-diol; 2-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide

Systemtic Name: (E)-ethene-1,2-diol; 2-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide Openeye Name: (E)-ethene-1,2-diol; N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-2-nitro-benzenesulfonamide CAS Name: (E)-ethene-1,2-diol; N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: (E)-ethene-1,2-diol; N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-nitrobenzenesulfonamide Traditional Name: (E)-ethene-1,2-diol; N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-2-nitro-benzenesulfonamide Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O.C(=CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O.C(=C/O)\O

InChI

InChI=1S/C17H21N3O6S.C2H4O2/c21-14(13-26-15-6-2-1-3-7-15)12-18-10-11-19-27(24,25)17-9-5-4-8-16(17)20(22)23;3-1-2-4/h1-9,14,18-19,21H,10-13H2;1-4H/b;2-1+