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

Systemtic Name: [3-[[(4-methyl-3-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methyl-3-nitrobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-14(2)12-21(13-16-6-5-7-18(10-16)28-29(4,26)27)20(23)17-9-8-15(3)19(11-17)22(24)25/h5-11,14H,12-13H2,1-4H3