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

Systemtic Name: [2-methoxy-5-[[(3-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-(3-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-(3-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-13(2)20(19(22)15-6-5-7-16(11-15)21(23)24)12-14-8-9-17(27-3)18(10-14)28-29(4,25)26/h5-11,13H,12H2,1-4H3