N-[2-(2-fluoranylphenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2-fluoranylphenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide CAS Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O5S/c1-18-14-8-7-12(11-15(14)20(21)22)26(23,24)19(2)9-10-25-16-6-4-3-5-13(16)17/h3-8,11,18H,9-10H2,1-2H3