N,N-diethyl-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Formula: C19H24FN3O5S MolecularWeight: 425.474363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O5S/c1-4-22(5-2)29(26,27)15-10-11-17(18(14-15)23(24)25)21(3)12-13-28-19-9-7-6-8-16(19)20/h6-11,14H,4-5,12-13H2,1-3H3