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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2-bromophenyl)-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-bromophenyl)-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(2-bromophenyl)-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-bromophenyl)-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2-bromophenyl)-3-methyl-coumarilamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H23BrN2O4S/c1-15-17-14-16(30(27,28)25-12-6-2-3-7-13-25)10-11-20(17)29-21(15)22(26)24-19-9-5-4-8-18(19)23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,24,26)