4-[2-(4-fluoranylphenoxy)ethylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-fluoranylphenoxy)ethylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-fluorophenoxy)ethylamino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(4-fluorophenoxy)ethylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-fluorophenoxy)ethylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-fluorophenoxy)ethylamino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H22FN3O6S MolecularWeight: 427.447183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O6S/c1-13(12-27-2)21-29(25,26)16-7-8-17(18(11-16)22(23)24)20-9-10-28-15-5-3-14(19)4-6-15/h3-8,11,13,20-21H,9-10,12H2,1-2H3/t13-/m0/s1