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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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