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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(methoxymethyl)benzofuran-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(methoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(methoxymethyl)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=CC=CC=C3O2)COC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)COC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N2O5S/c1-17-11-12-18(15-22(17)32(28,29)26-13-7-3-4-8-14-26)25-24(27)23-20(16-30-2)19-9-5-6-10-21(19)31-23/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,25,27)