[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-16-10-11-17(13-19(16)23)14-24-21(26)15-30-22(27)20-9-5-6-12-25(20)31(28,29)18-7-3-2-4-8-18/h2-4,7-8,10-11,13,20H,5-6,9,12,14-15H2,1H3,(H,24,26)