(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (5-fluoro-3-methyl-2-benzofuranyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C21H20F2N2O4S MolecularWeight: 434.456306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20F2N2O4S/c1-14-18-13-16(23)5-8-19(18)29-20(14)21(26)24-9-2-10-25(12-11-24)30(27,28)17-6-3-15(22)4-7-17/h3-8,13H,2,9-12H2,1H3