N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-3-methyl-benzofuran-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-methoxy-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-3-methyl-coumarilamide Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N2O5S/c1-16-8-9-18(14-22(16)32(28,29)26-12-6-4-5-7-13-26)25-24(27)23-17(2)20-15-19(30-3)10-11-21(20)31-23/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,25,27)