[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)O[C@H](C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24FN3O7S/c1-14-6-8-17(34(31,32)25-10-4-3-5-11-25)13-18(14)22(28)33-15(2)21(27)24-16-7-9-19(23)20(12-16)26(29)30/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,24,27)/t15-/m1/s1