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

Systemtic Name: 1-[(5-chloranyl-1-benzofuran-2-yl)methyl]-4-(2-fluorophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(2-fluorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[(5-chloro-2-benzofuranyl)methyl]-4-(2-fluorophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(5-chloro-1-benzofuran-2-yl)methyl]-4-(2-fluorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(2-fluorophenyl)sulfonyl-1,4-diazepane Formula: C20H20ClFN2O3S MolecularWeight: 422.900803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2F)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2F)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClFN2O3S/c21-16-6-7-19-15(12-16)13-17(27-19)14-23-8-3-9-24(11-10-23)28(25,26)20-5-2-1-4-18(20)22/h1-2,4-7,12-13H,3,8-11,14H2