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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-14(2)12-21(20(23)16-6-8-17(9-7-16)22(24)25)13-15-5-10-18(28-3)19(11-15)29-30(4,26)27/h5-11,14H,12-13H2,1-4H3