[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H17FN2O7S2 MolecularWeight: 480.486583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O7S2/c1-14-3-6-17(23(24)25)13-20(14)32(28,29)30-18-9-7-16(8-10-18)22(2)31(26,27)19-11-4-15(21)5-12-19/h3-13H,1-2H3