N-[4-(azepan-1-ylsulfonyl)phenyl]-6-bromanyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-bromanyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-6-bromo-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-bromo-3-methyl-coumarilamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H23BrN2O4S/c1-15-19-11-6-16(23)14-20(19)29-21(15)22(26)24-17-7-9-18(10-8-17)30(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H,24,26)