1-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-chloro-5-methylsulfonyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-chloro-5-mesyl-phenyl)sulfonyl-1,4-diazepane Formula: C12H17ClN2O4S2 MolecularWeight: 352.85738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O4S2/c1-20(16,17)10-3-4-11(13)12(9-10)21(18,19)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3