2-nitro-N-[1-[(1-oxidanyl-3-phenoxy-propan-2-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[1-[(1-oxidanyl-3-phenoxy-propan-2-yl)amino]ethyl]benzenesulfonamide Openeye Name: N-[1-[[1-(hydroxymethyl)-2-phenoxy-ethyl]amino]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[(1-hydroxy-3-phenoxypropan-2-yl)amino]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(1-hydroxy-3-phenoxypropan-2-yl)amino]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-[(1-methylol-2-phenoxy-ethyl)amino]ethyl]-2-nitro-benzenesulfonamide Formula: C17H21N3O6S MolecularWeight: 395.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-13(18-14(11-21)12-26-15-7-3-2-4-8-15)19-27(24,25)17-10-6-5-9-16(17)20(22)23/h2-10,13-14,18-19,21H,11-12H2,1H3