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

Systemtic Name: [4-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methoxyethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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