4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C24H32N2O5S MolecularWeight: 460.58628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N2O5S/c1-3-30-22-8-4-5-9-23(22)31-19-6-10-24(27)25-15-7-16-26(18-17-25)32(28,29)21-13-11-20(2)12-14-21/h4-5,8-9,11-14H,3,6-7,10,15-19H2,1-2H3