1-(4-ethylsulfonylphenyl)-1,4-diazepane hydrochloride

Systemtic Name: 1-(4-ethylsulfonylphenyl)-1,4-diazepane hydrochloride Openeye Name: 1-(4-ethylsulfonylphenyl)-1,4-diazepane hydrochloride CAS Name: 1-(4-ethylsulfonylphenyl)-1,4-diazepane hydrochloride IUPAC Name: 1-(4-ethylsulfonylphenyl)-1,4-diazepane hydrochloride Traditional Name: 1-(4-esylphenyl)-1,4-diazepane hydrochloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)N2CCCNCC2.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)N2CCCNCC2.Cl

InChI

InChI=1S/C13H20N2O2S.ClH/c1-2-18(16,17)13-6-4-12(5-7-13)15-10-3-8-14-9-11-15;/h4-7,14H,2-3,8-11H2,1H3;1H