1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-1,4-diazepane Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCNCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCNCC2

InChI

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