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

Systemtic Name: [3-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C23H21FN2O7S MolecularWeight: 488.485443

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN2O7S/c1-32-14-13-25(23(27)18-5-9-20(10-6-18)26(28)29)16-17-3-2-4-21(15-17)33-34(30,31)22-11-7-19(24)8-12-22/h2-12,15H,13-14,16H2,1H3