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

Systemtic Name: 3-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,3-oxazepan-2-one Openeye Name: 3-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-1,3-oxazepan-2-one CAS Name: 3-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,3-oxazepan-2-one IUPAC Name: 3-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,3-oxazepan-2-one Traditional Name: 3-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-1,3-oxazepan-2-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)NCCCCN2CCCCOC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCCOC2=O

InChI

InChI=1S/C22H36N2O4S/c1-4-21(18(2)17-19-9-11-20(12-10-19)29(3,26)27)23-13-5-6-14-24-15-7-8-16-28-22(24)25/h9-12,18,21,23H,4-8,13-17H2,1-3H3