1-(4-fluoranyl-2-methylsulfonyl-phenyl)-1,4-diazepane hydrochloride

Systemtic Name: 1-(4-fluoranyl-2-methylsulfonyl-phenyl)-1,4-diazepane hydrochloride Openeye Name: 1-(4-fluoro-2-methylsulfonyl-phenyl)-1,4-diazepane hydrochloride CAS Name: 1-(4-fluoro-2-methylsulfonylphenyl)-1,4-diazepane hydrochloride IUPAC Name: 1-(4-fluoro-2-methylsulfonylphenyl)-1,4-diazepane hydrochloride Traditional Name: 1-(4-fluoro-2-mesyl-phenyl)-1,4-diazepane hydrochloride Formula: C12H18ClFN2O2S MolecularWeight: 308.799923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2O2S.ClH/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;1H