1,4-bis[[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(2,4-dichloro-5-methyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(2,4-dichloro-5-methyl-phenyl)sulfonyl]-1,4-diazepane Formula: C19H20Cl4N2O4S2 MolecularWeight: 546.3151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)Cl

InChI

InChI=1S/C19H20Cl4N2O4S2/c1-12-8-18(16(22)10-14(12)20)30(26,27)24-4-3-5-25(7-6-24)31(28,29)19-9-13(2)15(21)11-17(19)23/h8-11H,3-7H2,1-2H3