[3-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-26-11-10-19(18(21)15-6-8-16(9-7-15)20(22)23)13-14-4-3-5-17(12-14)27-28(2,24)25/h3-9,12H,10-11,13H2,1-2H3