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

Systemtic Name: [4-[[3-methoxypropyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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