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

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (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=C(C=C4)F

Isomeric SMILES

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

InChI

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