5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-3-methyl-coumarilamide Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-16-8-10-21(17(2)14-16)25-24(27)23-18(3)20-15-19(9-11-22(20)30-23)31(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,25,27)