[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27FN2O5S/c1-2-25(16-18-9-5-3-6-10-18)22(27)17-31-23(28)19-11-12-20(24)21(15-19)32(29,30)26-13-7-4-8-14-26/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3