3,7-bis(chloranyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane

Systemtic Name: 3,7-bis(chloranyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Openeye Name: 3,7-dichloro-1,5-bis(p-tolylsulfonyl)-1,5-diazocane CAS Name: 3,7-dichloro-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane IUPAC Name: 3,7-dichloro-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Traditional Name: 3,7-dichloro-1,5-ditosyl-1,5-diazocane Formula: C20H24Cl2N2O4S2 MolecularWeight: 491.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C20H24Cl2N2O4S2/c1-15-3-7-19(8-4-15)29(25,26)23-11-17(21)13-24(14-18(22)12-23)30(27,28)20-9-5-16(2)6-10-20/h3-10,17-18H,11-14H2,1-2H3