[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl ester IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl ester Formula: C24H28FNO6S MolecularWeight: 477.545623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H28FNO6S/c1-3-30-21-13-18-12-16(2)32-22(18)14-19(21)15-31-24(27)17-8-10-26(11-9-17)33(28,29)23-7-5-4-6-20(23)25/h4-7,13-14,16-17H,3,8-12,15H2,1-2H3/t16-/m0/s1