1-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-1,4-diazepane Formula: C13H18Cl2N2O2S MolecularWeight: 337.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CCCNCC2)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CCCNCC2)C)Cl

InChI

InChI=1S/C13H18Cl2N2O2S/c1-9-8-11(14)10(2)13(12(9)15)20(18,19)17-6-3-4-16-5-7-17/h8,16H,3-7H2,1-2H3