[2-methoxy-5-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C24H23FN2O8S MolecularWeight: 518.511423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN2O8S/c1-33-14-13-26(24(28)18-4-8-20(9-5-18)27(29)30)16-17-3-12-22(34-2)23(15-17)35-36(31,32)21-10-6-19(25)7-11-21/h3-12,15H,13-14,16H2,1-2H3