methyl 1-[4-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-(2,3-dihydrobenzofuran-5-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(coumaran-5-carbonylamino)phenyl]sulfonylnipecotic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H24N2O6S/c1-29-22(26)17-3-2-11-24(14-17)31(27,28)19-7-5-18(6-8-19)23-21(25)16-4-9-20-15(13-16)10-12-30-20/h4-9,13,17H,2-3,10-12,14H2,1H3,(H,23,25)