3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-18-4-11-21(12-5-18)29(26,27)24-15-3-14-23(16-17-24)22(25)13-8-19-6-9-20(28-2)10-7-19/h4-7,9-12H,3,8,13-17H2,1-2H3