1,4-bis[(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(4-ethoxy-2,3-dimethylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-ethoxy-2,3-dimethylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl]-1,4-diazepane Formula: C25H36N2O6S2 MolecularWeight: 524.69314

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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=C(C(=C(C=C3)OCC)C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O6S2/c1-7-32-22-10-12-24(20(5)18(22)3)34(28,29)26-14-9-15-27(17-16-26)35(30,31)25-13-11-23(33-8-2)19(4)21(25)6/h10-13H,7-9,14-17H2,1-6H3