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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

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