(2-nitrophenyl)methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate

Systemtic Name: (2-nitrophenyl)methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate Openeye Name: (2-nitrophenyl)methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoic acid (2-nitrobenzyl) ester Formula: C21H17FN2O6S MolecularWeight: 444.432883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O6S/c1-14-6-7-15(21(25)30-13-16-4-2-3-5-20(16)24(26)27)12-19(14)23-31(28,29)18-10-8-17(22)9-11-18/h2-12,23H,13H2,1H3