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

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C23H31N3O6S/c1-3-31-23(28)25-14-12-24(13-15-25)22(27)21-17(2)19-16-18(8-9-20(19)32-21)33(29,30)26-10-6-4-5-7-11-26/h8-9,16H,3-7,10-15H2,1-2H3