ethyl 5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-(azepan-1-ylmethyl)piperidino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C24H34N2O5S MolecularWeight: 462.60216

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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)CN4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CN4CCCCCC4)C

InChI

InChI=1S/C24H34N2O5S/c1-3-30-24(27)23-18(2)21-16-20(8-9-22(21)31-23)32(28,29)26-14-10-19(11-15-26)17-25-12-6-4-5-7-13-25/h8-9,16,19H,3-7,10-15,17H2,1-2H3