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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27FN2O5S/c1-3-17-7-10-19(11-8-17)25-22(27)16(2)31-23(28)18-9-12-20(24)21(15-18)32(29,30)26-13-5-4-6-14-26/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,27)/t16-/m0/s1