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

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-piperazine CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-(3-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-piperazine Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H25FN2O4S/c1-32-23-6-3-7-25(17-23)34(30,31)29-12-10-28(11-13-29)18-24-16-21-14-20(8-9-26(21)33-24)19-4-2-5-22(27)15-19/h2-9,14-17H,10-13,18H2,1H3