1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(2,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane Formula: C21H28N2O8S2 MolecularWeight: 500.58562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H28N2O8S2/c1-28-16-6-8-20(18(14-16)30-3)32(24,25)22-10-5-11-23(13-12-22)33(26,27)21-9-7-17(29-2)15-19(21)31-4/h6-9,14-15H,5,10-13H2,1-4H3