ethyl 3-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[4-(4-pyridyl)-1-piperidyl]sulfonyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(4-pyridin-4-yl-1-piperidinyl)sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[4-(4-pyridyl)piperidino]sulfonyl-coumarilic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C4=CC=NC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H24N2O5S/c1-3-28-22(25)21-15(2)19-14-18(4-5-20(19)29-21)30(26,27)24-12-8-17(9-13-24)16-6-10-23-11-7-16/h4-7,10-11,14,17H,3,8-9,12-13H2,1-2H3