1-(2-ethylsulfonylphenyl)-1,4-diazepane

Systemtic Name: 1-(2-ethylsulfonylphenyl)-1,4-diazepane Openeye Name: 1-(2-ethylsulfonylphenyl)-1,4-diazepane CAS Name: 1-(2-ethylsulfonylphenyl)-1,4-diazepane IUPAC Name: 1-(2-ethylsulfonylphenyl)-1,4-diazepane Traditional Name: 1-(2-esylphenyl)-1,4-diazepane Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1N2CCCNCC2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1N2CCCNCC2

InChI

InChI=1S/C13H20N2O2S/c1-2-18(16,17)13-7-4-3-6-12(13)15-10-5-8-14-9-11-15/h3-4,6-7,14H,2,5,8-11H2,1H3