1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-1,4-diazepane Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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