1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepane

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepane Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepane CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepane IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepane Traditional Name: 1-(2,4-dimesylphenyl)-1,4-diazepane Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)S(=O)(=O)C

InChI

InChI=1S/C13H20N2O4S2/c1-20(16,17)11-4-5-12(13(10-11)21(2,18)19)15-8-3-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3