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

Systemtic Name: 1-[(5-chloranyl-1-benzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[(5-chloro-2-benzofuranyl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(5-chloro-1-benzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(3-mesylphenyl)sulfonyl-1,4-diazepane Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S2/c1-30(25,26)19-4-2-5-20(14-19)31(27,28)24-9-3-8-23(10-11-24)15-18-13-16-12-17(22)6-7-21(16)29-18/h2,4-7,12-14H,3,8-11,15H2,1H3