1,4-bis[(5-bromanyl-2,4-dimethyl-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(5-bromanyl-2,4-dimethyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(5-bromo-2,4-dimethyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(5-bromo-2,4-dimethylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(5-bromo-2,4-dimethylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(5-bromo-2,4-dimethyl-phenyl)sulfonyl]-1,4-diazepane Formula: C21H26Br2N2O4S2 MolecularWeight: 594.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3C)C)Br)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3C)C)Br)Br)C

InChI

InChI=1S/C21H26Br2N2O4S2/c1-14-10-16(3)20(12-18(14)22)30(26,27)24-6-5-7-25(9-8-24)31(28,29)21-13-19(23)15(2)11-17(21)4/h10-13H,5-9H2,1-4H3