[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C24H29FN2O5S MolecularWeight: 476.560863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H29FN2O5S/c1-16(2)18-7-10-20(11-8-18)26-23(28)17(3)32-24(29)19-9-12-21(25)22(15-19)33(30,31)27-13-5-4-6-14-27/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,28)/t17-/m0/s1