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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O7S/c23-16-10-8-15(9-11-16)13-24-21(27)14-33-22(28)19-6-1-2-7-20(19)25-34(31,32)18-5-3-4-17(12-18)26(29)30/h1-12,25H,13-14H2,(H,24,27)