(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C24H25NO7S MolecularWeight: 471.5228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C24H25NO7S/c1-3-30-24(27)21-19-15-18(9-10-20(19)32-22(21)16-7-5-4-6-8-16)31-23(26)17-11-13-25(14-12-17)33(2,28)29/h4-10,15,17H,3,11-14H2,1-2H3