ethyl 1-[[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-carbonyl]isonipecotic acid ethyl ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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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)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H32N2O6S/c1-3-31-24(28)18-10-14-25(15-11-18)23(27)22-17(2)20-16-19(8-9-21(20)32-22)33(29,30)26-12-6-4-5-7-13-26/h8-9,16,18H,3-7,10-15H2,1-2H3