1,4-bis[(3-tert-butyl-4-ethoxy-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(3-tert-butyl-4-ethoxy-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(3-tert-butyl-4-ethoxy-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(3-tert-butyl-4-ethoxyphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(3-tert-butyl-4-ethoxyphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(3-tert-butyl-4-ethoxy-phenyl)sulfonyl]-1,4-diazepane Formula: C29H44N2O6S2 MolecularWeight: 580.79946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OCC)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H44N2O6S2/c1-9-36-26-14-12-22(20-24(26)28(3,4)5)38(32,33)30-16-11-17-31(19-18-30)39(34,35)23-13-15-27(37-10-2)25(21-23)29(6,7)8/h12-15,20-21H,9-11,16-19H2,1-8H3