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

Systemtic Name: [3-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methyl-3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-13(2)20(12-15-6-5-7-17(10-15)27-28(4,25)26)19(22)16-9-8-14(3)18(11-16)21(23)24/h5-11,13H,12H2,1-4H3