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

Systemtic Name: ethyl 4-[(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-5-(1-piperidylsulfonyl)benzofuran-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-methyl-5-(1-piperidinylsulfonyl)-2-benzofuranyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-methyl-5-piperidinosulfonyl-benzofuran-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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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)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C22H29N3O6S/c1-3-30-22(27)24-13-11-23(12-14-24)21(26)20-16(2)18-15-17(7-8-19(18)31-20)32(28,29)25-9-5-4-6-10-25/h7-8,15H,3-6,9-14H2,1-2H3