5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-isopentyl-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-isoamyl-3-methyl-coumarilamide Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-15(2)10-11-22-21(24)20-16(3)18-14-17(8-9-19(18)27-20)28(25,26)23-12-6-4-5-7-13-23/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,22,24)