[4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[(5-chloro-2-benzofuranyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-mesylphenyl)methanone Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-30(27,28)20-6-3-16(4-7-20)22(26)25-10-2-9-24(11-12-25)15-19-14-17-13-18(23)5-8-21(17)29-19/h3-8,13-14H,2,9-12,15H2,1H3