1-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-tosyl-1,4-diazepane Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C12H18N2O2S/c1-11-3-5-12(6-4-11)17(15,16)14-9-2-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3