5-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N,3-dimethyl-coumarilamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N(C)CCC#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N(C)CCC#N

InChI

InChI=1S/C20H25N3O4S/c1-15-17-14-16(28(25,26)23-12-5-3-4-6-13-23)8-9-18(17)27-19(15)20(24)22(2)11-7-10-21/h8-9,14H,3-7,11-13H2,1-2H3