N,N-diethyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[2-(4-fluorophenyl)thiazol-4-yl]methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(4-fluorophenyl)-4-thiazolyl]methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[2-(4-fluorophenyl)thiazol-4-yl]methoxy]-3-nitro-benzenesulfonamide Formula: C20H20FN3O5S2 MolecularWeight: 465.518303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CSC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CSC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O5S2/c1-3-23(4-2)31(27,28)17-9-10-19(18(11-17)24(25)26)29-12-16-13-30-20(22-16)14-5-7-15(21)8-6-14/h5-11,13H,3-4,12H2,1-2H3