N,N-diethyl-4-[(1S)-1-[(4-fluoranyl-2-nitro-phenyl)amino]ethyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(1S)-1-[(4-fluoranyl-2-nitro-phenyl)amino]ethyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(1S)-1-(4-fluoro-2-nitro-anilino)ethyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(1S)-1-(4-fluoro-2-nitroanilino)ethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(1S)-1-(4-fluoro-2-nitroanilino)ethyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(1S)-1-(4-fluoro-2-nitro-anilino)ethyl]benzenesulfonamide Formula: C18H22FN3O4S MolecularWeight: 395.448383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O4S/c1-4-21(5-2)27(25,26)16-9-6-14(7-10-16)13(3)20-17-11-8-15(19)12-18(17)22(23)24/h6-13,20H,4-5H2,1-3H3/t13-/m0/s1