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

Systemtic Name: 1,4-bis[(4-ethoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-ethoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(4-ethoxy-3-methylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-ethoxy-3-methylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-ethoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane Formula: C23H32N2O6S2 MolecularWeight: 496.63998

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O6S2/c1-5-30-22-10-8-20(16-18(22)3)32(26,27)24-12-7-13-25(15-14-24)33(28,29)21-9-11-23(31-6-2)19(4)17-21/h8-11,16-17H,5-7,12-15H2,1-4H3