methyl 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(2,3-dihydrobenzofuran-2-ylmethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2,3-dihydrobenzofuran-2-ylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(coumaran-2-ylmethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3CC4=CC=CC=C4O3

InChI

InChI=1S/C23H26N2O6S/c1-30-23(27)19-7-3-5-9-21(19)32(28,29)25-12-10-16(11-13-25)22(26)24-15-18-14-17-6-2-4-8-20(17)31-18/h2-9,16,18H,10-15H2,1H3,(H,24,26)