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

Systemtic Name: 1-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-mesylphenyl)sulfonyl-1,4-diazepane Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-19(15,16)11-3-5-12(6-4-11)20(17,18)14-9-2-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3