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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C27H27FN2O3S MolecularWeight: 478.578283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C27H27FN2O3S/c1-20-6-8-21(9-7-20)22-10-11-27-23(16-22)17-25(33-27)19-29-12-3-13-30(15-14-29)34(31,32)26-5-2-4-24(28)18-26/h2,4-11,16-18H,3,12-15,19H2,1H3