N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-fluorobenzyl)oxybenzyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN2O5S/c1-15-2-11-20(12-21(15)24(25)26)30(27,28)23-13-16-5-9-19(10-6-16)29-14-17-3-7-18(22)8-4-17/h2-12,23H,13-14H2,1H3