[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C23H17FN4O9S4 MolecularWeight: 640.660883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H17FN4O9S4/c24-18-6-5-15(12-19(18)28(31)32)25-20(29)13-37-23(30)14-9-16(26-40(33,34)21-3-1-7-38-21)11-17(10-14)27-41(35,36)22-4-2-8-39-22/h1-12,26-27H,13H2,(H,25,29)