1-[3-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]propyl]azepan-2-one Openeye Name: 1-[3-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]propyl]azepan-2-one CAS Name: 1-[3-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]propyl]azepan-2-one Traditional Name: 1-[3-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]propyl]azepan-2-one Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCN2CCCCCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCN2CCCCCC2=O

InChI

InChI=1S/C22H36N2O3S/c1-4-21(23-14-8-16-24-15-7-5-6-9-22(24)25)18(2)17-19-10-12-20(13-11-19)28(3,26)27/h10-13,18,21,23H,4-9,14-17H2,1-3H3