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

Systemtic Name: [2-methoxy-5-[[(4-methyl-3-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methyl-3-nitrobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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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)CC(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)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O7S/c1-14(2)12-22(21(24)17-8-6-15(3)18(11-17)23(25)26)13-16-7-9-19(29-4)20(10-16)30-31(5,27)28/h6-11,14H,12-13H2,1-5H3