N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-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)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O4S/c1-3-21(4-2)27(25,26)16-9-10-17(18(13-16)22(23)24)20-12-11-14-5-7-15(19)8-6-14/h5-10,13,20H,3-4,11-12H2,1-2H3