2-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)sulfonyl-azepane

Systemtic Name: 2-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)sulfonyl-azepane Openeye Name: 2-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)sulfonyl-azepane CAS Name: 2-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)sulfonylazepane IUPAC Name: 2-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)sulfonylazepane Traditional Name: 1-(4-mesylphenyl)sulfonyl-2-(4-methoxyphenyl)azepane Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25NO5S2/c1-26-17-9-7-16(8-10-17)20-6-4-3-5-15-21(20)28(24,25)19-13-11-18(12-14-19)27(2,22)23/h7-14,20H,3-6,15H2,1-2H3