4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-oxazepan-3-one

Systemtic Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-oxazepan-3-one Openeye Name: 4-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-1,4-oxazepan-3-one CAS Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-oxazepan-3-one IUPAC Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-oxazepan-3-one Traditional Name: 4-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-1,4-oxazepan-3-one Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCOCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCOCC2=O

InChI

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