[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C22H24FN3O7S/c23-19-10-7-17(26(29)30)14-20(19)24-21(27)15-33-22(28)11-6-16-4-8-18(9-5-16)34(31,32)25-12-2-1-3-13-25/h4-5,7-10,14H,1-3,6,11-13,15H2,(H,24,27)