ethyl 1-[[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofuranyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-benzofuran-2-carbonyl]isonipecotic acid ethyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CC(CC(C4)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CC(CC(C4)C)C)C

InChI

InChI=1S/C25H34N2O6S/c1-5-32-25(29)19-8-10-26(11-9-19)24(28)23-18(4)21-13-20(6-7-22(21)33-23)34(30,31)27-14-16(2)12-17(3)15-27/h6-7,13,16-17,19H,5,8-12,14-15H2,1-4H3