[4-[[(4-methyl-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-methyl-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-17-8-11-20(14-22(17)25(27)28)23(26)24(15-18-6-4-3-5-7-18)16-19-9-12-21(13-10-19)31-32(2,29)30/h3-14H,15-16H2,1-2H3