[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H17FN2O8S MolecularWeight: 488.442383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O8S/c23-17-8-4-15(5-9-17)13-24-21(26)14-32-22(27)16-6-10-19(11-7-16)33-34(30,31)20-3-1-2-18(12-20)25(28)29/h1-12H,13-14H2,(H,24,26)