[2-methoxy-5-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methyl-3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-13(2)21(20(23)16-8-6-14(3)17(11-16)22(24)25)12-15-7-9-18(28-4)19(10-15)29-30(5,26)27/h6-11,13H,12H2,1-5H3