4-[4-[2-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-oxazepan-5-one

Systemtic Name: 4-[4-[2-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-oxazepan-5-one Openeye Name: 4-[4-[[1-methyl-1-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-1,4-oxazepan-5-one CAS Name: 4-[4-[2-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-oxazepan-5-one IUPAC Name: 4-[4-[2-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-oxazepan-5-one Traditional Name: 4-[4-[[1-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-oxazepan-5-one Formula: C22H36N2O4S MolecularWeight: 424.59724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCOCCC1=O)C(C)(C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCOCCC1=O)C(C)(C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H36N2O4S/c1-5-13-24(15-7-6-14-23-16-18-28-17-12-21(23)25)22(2,3)19-8-10-20(11-9-19)29(4,26)27/h8-11H,5-7,12-18H2,1-4H3