N-[4-(4-fluoranylphenoxy)butyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-fluoranylphenoxy)butyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-(4-fluorophenoxy)butyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[4-(4-fluorophenoxy)butyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-fluorophenoxy)butyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-(4-fluorophenoxy)butyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H21FN2O5S MolecularWeight: 396.433143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN2O5S/c1-13-11-16(21(22)23)12-18(14(13)2)27(24,25)20-9-3-4-10-26-17-7-5-15(19)6-8-17/h5-8,11-12,20H,3-4,9-10H2,1-2H3