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

Systemtic Name: 1-(4-chloranyl-2-methylsulfonyl-phenyl)-1,4-diazepane Openeye Name: 1-(4-chloro-2-methylsulfonyl-phenyl)-1,4-diazepane CAS Name: 1-(4-chloro-2-methylsulfonylphenyl)-1,4-diazepane IUPAC Name: 1-(4-chloro-2-methylsulfonylphenyl)-1,4-diazepane Traditional Name: 1-(4-chloro-2-mesyl-phenyl)-1,4-diazepane Formula: C12H17ClN2O2S MolecularWeight: 288.79358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O2S/c1-18(16,17)12-9-10(13)3-4-11(12)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3