5-(azepan-1-ylsulfonyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(2-morpholinoethyl)benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-N-[2-(4-morpholinyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(2-morpholinoethyl)coumarilamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C22H31N3O5S/c1-17-19-16-18(31(27,28)25-9-4-2-3-5-10-25)6-7-20(19)30-21(17)22(26)23-8-11-24-12-14-29-15-13-24/h6-7,16H,2-5,8-15H2,1H3,(H,23,26)