1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C27H27FN2O4S MolecularWeight: 494.577683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C27H27FN2O4S/c1-33-27-9-3-2-8-25(27)20-10-11-26-21(16-20)17-23(34-26)19-29-12-5-13-30(15-14-29)35(31,32)24-7-4-6-22(28)18-24/h2-4,6-11,16-18H,5,12-15,19H2,1H3