[3-[[(3-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isopropyl-(3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl-(3-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-13(2)19(18(21)15-7-5-8-16(11-15)20(22)23)12-14-6-4-9-17(10-14)26-27(3,24)25/h4-11,13H,12H2,1-3H3